(6R)-N,1-dimethyl-4-(2-methyl-3H-benzimidazole-5-carbonyl)-1,4-diazepane-6-carboxamide

C17H23N5O2 — CID 125011280

IUPAC(6R)-N,1-dimethyl-4-(2-methyl-3H-benzimidazole-5-carbonyl)-1,4-diazepane-6-carboxamide
SMILESCNC(=O)[C@@H]1CN(C)CCN(C(=O)c2ccc3nc(C)[nH]c3c2)C1
InChIInChI=1S/C17H23N5O2/c1-11-19-14-5-4-12(8-15(14)20-11)17(24)22-7-6-21(3)9-13(10-22)16(23)18-2/h4-5,8,13H,6-7,9-10H2,1-3H3,(H,18,23)(H,19,20)/t13-/m1/s1
InChIKeyVPALTNOWRNDRQI-CYBMUJFWSA-N
MW329.40 g/mol
LogP0.62
Rot. Bonds2

About (6R)-N,1-dimethyl-4-(2-methyl-3H-benzimidazole-5-carbonyl)-1,4-diazepane-6-carboxamide

(6R)-N,1-dimethyl-4-(2-methyl-3H-benzimidazole-5-carbonyl)-1,4-diazepane-6-carboxamide (PubChem CID 125011280) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is (6R)-N,1-dimethyl-4-(2-methyl-3H-benzimidazole-5-carbonyl)-1,4-diazepane-6-carboxamide.

Molecular Properties

Compound Name(6R)-N,1-dimethyl-4-(2-methyl-3H-benzimidazole-5-carbonyl)-1,4-diazepane-6-carboxamide
PubChem CID125011280
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name(6R)-N,1-dimethyl-4-(2-methyl-3H-benzimidazole-5-carbonyl)-1,4-diazepane-6-carboxamide
SMILESCNC(=O)[C@@H]1CN(C)CCN(C(=O)c2ccc3nc(C)[nH]c3c2)C1
InChIInChI=1S/C17H23N5O2/c1-11-19-14-5-4-12(8-15(14)20-11)17(24)22-7-6-21(3)9-13(10-22)16(23)18-2/h4-5,8,13H,6-7,9-10H2,1-3H3,(H,18,23)(H,19,20)/t13-/m1/s1
InChIKeyVPALTNOWRNDRQI-CYBMUJFWSA-N
XLogP0.62
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (6R)-N,1-dimethyl-4-(2-methyl-3H-benzimidazole-5-carbonyl)-1,4-diazepane-6-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

(6R)-1-methyl-4-(2-methyl-3H-benzimidazole-5-carbonyl)-1,4-diazepane-6-carboxamide
CID 124964373
(6S)-1-methyl-4-(2-methyl-3H-benzimidazole-5-carbonyl)-1,4-diazepane-6-carboxamide
CID 124964374
ethane;(2-methyl-3H-benzimidazol-5-yl)-(4-methylpiperazin-1-yl)methanone
CID 144710536
1-(2-methyl-3H-benzimidazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 110089596
(3R)-1-(2-methyl-3H-benzimidazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 125025602
(2-methyl-3H-benzimidazol-5-yl)-[4-(3-methylbenzoyl)piperazin-1-yl]methanone
CID 110802203
(3-fluorophenyl)-[4-(2-methyl-3H-benzimidazole-5-carbonyl)piperazin-1-yl]methanone
CID 110802344
2-[1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-3-yl]acetic acid
CID 110095906
(6S)-1-acetyl-4-(2H-benzotriazole-5-carbonyl)-N-methyl-1,4-diazepane-6-carboxamide
CID 125002621
(2-methyl-3H-benzimidazol-5-yl)-[4-(2-methylbenzoyl)piperazin-1-yl]methanone
CID 110802143
[4-(2-methyl-3H-benzimidazole-5-carbonyl)-1,4-diazepan-1-yl]-pyridin-4-ylmethanone
CID 110808603
4-(2-methyl-3H-benzimidazole-5-carbonyl)-N-propan-2-yl-1,4-diazepane-1-carboxamide
CID 110813696

Frequently Asked Questions

What is the IUPAC name of (6R)-N,1-dimethyl-4-(2-methyl-3H-benzimidazole-5-carbonyl)-1,4-diazepane-6-carboxamide?
The IUPAC name of (6R)-N,1-dimethyl-4-(2-methyl-3H-benzimidazole-5-carbonyl)-1,4-diazepane-6-carboxamide (CID 125011280) is (6R)-N,1-dimethyl-4-(2-methyl-3H-benzimidazole-5-carbonyl)-1,4-diazepane-6-carboxamide.
What is the SMILES notation for (6R)-N,1-dimethyl-4-(2-methyl-3H-benzimidazole-5-carbonyl)-1,4-diazepane-6-carboxamide?
The canonical SMILES for (6R)-N,1-dimethyl-4-(2-methyl-3H-benzimidazole-5-carbonyl)-1,4-diazepane-6-carboxamide is CNC(=O)[C@@H]1CN(C)CCN(C(=O)c2ccc3nc(C)[nH]c3c2)C1.
What is the InChIKey of (6R)-N,1-dimethyl-4-(2-methyl-3H-benzimidazole-5-carbonyl)-1,4-diazepane-6-carboxamide?
The InChIKey is VPALTNOWRNDRQI-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-11-19-14-5-4-12(8-15(14)20-11)17(24)22-7-6-21(3)9-13(10-22)16(23)18-2/h4-5,8,13H,6-7,9-10H2,1-3H3,(H,18,23)(H,19,20)/t13-/m1/s1.
What are the key properties of (6R)-N,1-dimethyl-4-(2-methyl-3H-benzimidazole-5-carbonyl)-1,4-diazepane-6-carboxamide?
(6R)-N,1-dimethyl-4-(2-methyl-3H-benzimidazole-5-carbonyl)-1,4-diazepane-6-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-N,1-dimethyl-4-(2-methyl-3H-benzimidazole-5-carbonyl)-1,4-diazepane-6-carboxamide is sourced from PubChem (CID 125011280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).