N-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxyethyl]-7-methyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide

C19H23ClN6O2 — CID 70285125

IUPACN-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxyethyl]-7-methyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide
SMILESCOC[C@H](NC(=O)c1cn2c(n1)CCN(C)CC2)c1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C19H23ClN6O2/c1-25-6-5-17-21-15(10-26(17)8-7-25)19(27)24-16(11-28-2)18-22-13-4-3-12(20)9-14(13)23-18/h3-4,9-10,16H,5-8,11H2,1-2H3,(H,22,23)(H,24,27)/t16-/m0/s1
InChIKeySVKBDSFFFUKMTP-INIZCTEOSA-N
MW402.89 g/mol
LogP2.02
Rot. Bonds5

About N-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxyethyl]-7-methyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide

N-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxyethyl]-7-methyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide (PubChem CID 70285125) has the molecular formula C19H23ClN6O2 and a molecular weight of 402.89 g/mol. Its IUPAC name is N-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxyethyl]-7-methyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxyethyl]-7-methyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide
PubChem CID70285125
Molecular FormulaC19H23ClN6O2
Molecular Weight402.89 g/mol
Exact Mass402.16
IUPAC NameN-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxyethyl]-7-methyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide
SMILESCOC[C@H](NC(=O)c1cn2c(n1)CCN(C)CC2)c1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C19H23ClN6O2/c1-25-6-5-17-21-15(10-26(17)8-7-25)19(27)24-16(11-28-2)18-22-13-4-3-12(20)9-14(13)23-18/h3-4,9-10,16H,5-8,11H2,1-2H3,(H,22,23)(H,24,27)/t16-/m0/s1
InChIKeySVKBDSFFFUKMTP-INIZCTEOSA-N
XLogP2.02
TPSA88.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.89
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxyethyl]-7-methyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxyethyl]-3-methyl-1,2,4,5-tetrahydro-3-benzazepine-7-carboxamide
CID 70280194
N-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxyethyl]-6,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide
CID 70286680
(3S)-N-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxyethyl]-2,3-dimethyl-3,4-dihydro-1H-isoquinoline-6-carboxamide
CID 70282061
tert-butyl N-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxyethyl]carbamate
CID 67048287
3-chloro-N-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxyethyl]-4-(1,1-dioxothiazinan-2-yl)benzamide
CID 11375402
3-chloro-N-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxyethyl]-4-(2-oxoazepan-1-yl)benzamide
CID 11363513
N-[1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxyethyl]-3-methyl-4-(2-oxopiperidin-1-yl)benzamide
CID 72787215
N-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxyethyl]-4-(1,4-dihydroxy-5-oxoazepan-4-yl)-3-methylbenzamide
CID 67049432
3-chloro-N-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxyethyl]-4-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)benzamide
CID 59711665
N-[1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxyethyl]-4-(3-oxomorpholin-4-yl)-3-(trifluoromethyl)benzamide
CID 72758702
N-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-(fluoromethoxy)ethyl]-3-methyl-4-(pyrrolidine-1-carbonyl)benzamide
CID 69312655
2-[(2R)-2-(6-chloro-1H-benzimidazol-2-yl)-2-[[3-methyl-4-(pyrrolidine-1-carbonyl)benzoyl]amino]ethoxy]acetic acid
CID 59655106

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxyethyl]-7-methyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide?
The IUPAC name of N-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxyethyl]-7-methyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide (CID 70285125) is N-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxyethyl]-7-methyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxyethyl]-7-methyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide?
The canonical SMILES for N-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxyethyl]-7-methyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide is COC[C@H](NC(=O)c1cn2c(n1)CCN(C)CC2)c1nc2ccc(Cl)cc2[nH]1.
What is the InChIKey of N-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxyethyl]-7-methyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide?
The InChIKey is SVKBDSFFFUKMTP-INIZCTEOSA-N. The full InChI is InChI=1S/C19H23ClN6O2/c1-25-6-5-17-21-15(10-26(17)8-7-25)19(27)24-16(11-28-2)18-22-13-4-3-12(20)9-14(13)23-18/h3-4,9-10,16H,5-8,11H2,1-2H3,(H,22,23)(H,24,27)/t16-/m0/s1.
What are the key properties of N-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxyethyl]-7-methyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide?
N-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxyethyl]-7-methyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide has a molecular weight of 402.89 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxyethyl]-7-methyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide is sourced from PubChem (CID 70285125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).