N-[2-[4-(7-methoxy-2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]-2-oxoethyl]-1-methylbenzimidazole-5-carboxamide

C26H30N6O4 — CID 71025552

IUPACN-[2-[4-(7-methoxy-2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]-2-oxoethyl]-1-methylbenzimidazole-5-carboxamide
SMILESCOc1ccc2c(c1)CCN(C1CCN(C(=O)CNC(=O)c3ccc4c(c3)ncn4C)CC1)C(=O)N2
InChIInChI=1S/C26H30N6O4/c1-30-16-28-22-14-18(3-6-23(22)30)25(34)27-15-24(33)31-10-8-19(9-11-31)32-12-7-17-13-20(36-2)4-5-21(17)29-26(32)35/h3-6,13-14,16,19H,7-12,15H2,1-2H3,(H,27,34)(H,29,35)
InChIKeyJFDPTZWPQZGLII-UHFFFAOYSA-N
MW490.56 g/mol
LogP2.39
Rot. Bonds5

About N-[2-[4-(7-methoxy-2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]-2-oxoethyl]-1-methylbenzimidazole-5-carboxamide

N-[2-[4-(7-methoxy-2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]-2-oxoethyl]-1-methylbenzimidazole-5-carboxamide (PubChem CID 71025552) has the molecular formula C26H30N6O4 and a molecular weight of 490.56 g/mol. Its IUPAC name is N-[2-[4-(7-methoxy-2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]-2-oxoethyl]-1-methylbenzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(7-methoxy-2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]-2-oxoethyl]-1-methylbenzimidazole-5-carboxamide
PubChem CID71025552
Molecular FormulaC26H30N6O4
Molecular Weight490.56 g/mol
Exact Mass490.23
IUPAC NameN-[2-[4-(7-methoxy-2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]-2-oxoethyl]-1-methylbenzimidazole-5-carboxamide
SMILESCOc1ccc2c(c1)CCN(C1CCN(C(=O)CNC(=O)c3ccc4c(c3)ncn4C)CC1)C(=O)N2
InChIInChI=1S/C26H30N6O4/c1-30-16-28-22-14-18(3-6-23(22)30)25(34)27-15-24(33)31-10-8-19(9-11-31)32-12-7-17-13-20(36-2)4-5-21(17)29-26(32)35/h3-6,13-14,16,19H,7-12,15H2,1-2H3,(H,27,34)(H,29,35)
InChIKeyJFDPTZWPQZGLII-UHFFFAOYSA-N
XLogP2.39
TPSA108.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.56
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[4-(7-methoxy-2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]-2-oxoethyl]-1,3-benzothiazole-5-carboxamide
CID 143776123
CID 89199696
CID 89199696
3-(2-ethylpiperidine-1-carbonyl)-5-fluoro-N-[2-[4-(7-methoxy-2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 71025514
N-[2-[4-(7-methoxy-2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]-2-oxoethyl]-N,7-dimethyl-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 25227048
6-[4-(7-methoxy-2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]pyrimidine-4-carboxylic acid
CID 58386616
N-[2-[4-(7-methoxy-2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]-2-oxoethyl]-N,4-dimethyl-2-oxo-3H-1,3-benzoxazole-6-carboxamide
CID 71025555
methyl 5-cyano-4-[4-(7-methoxy-2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]pyridine-2-carboxylate
CID 67337337
N-[2-(4-methoxyphenyl)ethyl]-1-methylbenzimidazole-5-carboxamide
CID 110692591
1,3-dimethyl-2-oxo-N-[2-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]ethyl]quinoxaline-6-carboxamide
CID 25225174
5-cyano-2-[4-(7-methoxy-2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]pyridine-4-carboxylic acid
CID 58386480
N-[2-[5-(2-chloro-3-methoxyphenyl)-3-[2-[4-(7-methoxy-2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]-2-oxoethyl]-2,6-dioxopyrimidin-1-yl]propyl]-2-methylpropanamide
CID 134261821
N-[2-[5-(2-chloro-3-fluorophenyl)-3-[2-[4-(7-methoxy-2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]-2-oxoethyl]-2,6-dioxopyrimidin-1-yl]ethyl]acetamide
CID 121446001

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(7-methoxy-2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]-2-oxoethyl]-1-methylbenzimidazole-5-carboxamide?
The IUPAC name of N-[2-[4-(7-methoxy-2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]-2-oxoethyl]-1-methylbenzimidazole-5-carboxamide (CID 71025552) is N-[2-[4-(7-methoxy-2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]-2-oxoethyl]-1-methylbenzimidazole-5-carboxamide.
What is the SMILES notation for N-[2-[4-(7-methoxy-2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]-2-oxoethyl]-1-methylbenzimidazole-5-carboxamide?
The canonical SMILES for N-[2-[4-(7-methoxy-2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]-2-oxoethyl]-1-methylbenzimidazole-5-carboxamide is COc1ccc2c(c1)CCN(C1CCN(C(=O)CNC(=O)c3ccc4c(c3)ncn4C)CC1)C(=O)N2.
What is the InChIKey of N-[2-[4-(7-methoxy-2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]-2-oxoethyl]-1-methylbenzimidazole-5-carboxamide?
The InChIKey is JFDPTZWPQZGLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O4/c1-30-16-28-22-14-18(3-6-23(22)30)25(34)27-15-24(33)31-10-8-19(9-11-31)32-12-7-17-13-20(36-2)4-5-21(17)29-26(32)35/h3-6,13-14,16,19H,7-12,15H2,1-2H3,(H,27,34)(H,29,35).
What are the key properties of N-[2-[4-(7-methoxy-2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]-2-oxoethyl]-1-methylbenzimidazole-5-carboxamide?
N-[2-[4-(7-methoxy-2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]-2-oxoethyl]-1-methylbenzimidazole-5-carboxamide has a molecular weight of 490.56 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(7-methoxy-2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]-2-oxoethyl]-1-methylbenzimidazole-5-carboxamide is sourced from PubChem (CID 71025552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).