N-[1-(6-cyano-1H-benzimidazol-2-yl)ethyl]-3-methyl-4-(pyrrolidine-1-carbonyl)benzamide

C23H23N5O2 — CID 10250462

IUPACN-[1-(6-cyano-1H-benzimidazol-2-yl)ethyl]-3-methyl-4-(pyrrolidine-1-carbonyl)benzamide
SMILESCc1cc(C(=O)NC(C)c2nc3ccc(C#N)cc3[nH]2)ccc1C(=O)N1CCCC1
InChIInChI=1S/C23H23N5O2/c1-14-11-17(6-7-18(14)23(30)28-9-3-4-10-28)22(29)25-15(2)21-26-19-8-5-16(13-24)12-20(19)27-21/h5-8,11-12,15H,3-4,9-10H2,1-2H3,(H,25,29)(H,26,27)
InChIKeyBVWCAWPVAPFWPQ-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.47
Rot. Bonds4

About N-[1-(6-cyano-1H-benzimidazol-2-yl)ethyl]-3-methyl-4-(pyrrolidine-1-carbonyl)benzamide

N-[1-(6-cyano-1H-benzimidazol-2-yl)ethyl]-3-methyl-4-(pyrrolidine-1-carbonyl)benzamide (PubChem CID 10250462) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is N-[1-(6-cyano-1H-benzimidazol-2-yl)ethyl]-3-methyl-4-(pyrrolidine-1-carbonyl)benzamide.

Molecular Properties

Compound NameN-[1-(6-cyano-1H-benzimidazol-2-yl)ethyl]-3-methyl-4-(pyrrolidine-1-carbonyl)benzamide
PubChem CID10250462
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC NameN-[1-(6-cyano-1H-benzimidazol-2-yl)ethyl]-3-methyl-4-(pyrrolidine-1-carbonyl)benzamide
SMILESCc1cc(C(=O)NC(C)c2nc3ccc(C#N)cc3[nH]2)ccc1C(=O)N1CCCC1
InChIInChI=1S/C23H23N5O2/c1-14-11-17(6-7-18(14)23(30)28-9-3-4-10-28)22(29)25-15(2)21-26-19-8-5-16(13-24)12-20(19)27-21/h5-8,11-12,15H,3-4,9-10H2,1-2H3,(H,25,29)(H,26,27)
InChIKeyBVWCAWPVAPFWPQ-UHFFFAOYSA-N
XLogP3.47
TPSA101.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[1-(6-methyl-1H-benzimidazol-2-yl)ethyl]-4-(pyrrolidine-1-carbonyl)benzamide
CID 59655268
3-methyl-N-[1-(6-methyl-1H-benzimidazol-2-yl)-4-oxo-4-pyrrolidin-1-ylbutyl]-4-(pyrrolidine-1-carbonyl)benzamide
CID 59655114
N-[1-(6-chloro-1H-benzimidazol-2-yl)-2-piperidin-1-ylethyl]-3-methyl-4-(pyrrolidine-1-carbonyl)benzamide
CID 59655172
(4S)-4-(6-chloro-1H-benzimidazol-2-yl)-4-[[3-methyl-4-(pyrrolidine-1-carbonyl)benzoyl]amino]butanoic acid
CID 59737124
N-[2-acetamido-1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-methyl-4-(pyrrolidine-1-carbonyl)benzamide
CID 59655272
N-[4-acetamido-1-(6-chloro-1H-benzimidazol-2-yl)butyl]-3-methyl-4-(pyrrolidine-1-carbonyl)benzamide
CID 67551547
N-[(1S)-1-(6-chloro-1H-benzimidazol-2-yl)-2-(methanesulfonamido)ethyl]-3-methyl-4-(pyrrolidine-1-carbonyl)benzamide
CID 59655177
N-[2-benzamido-1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-methyl-4-(pyrrolidine-1-carbonyl)benzamide
CID 59655325
N-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-(fluoromethoxy)ethyl]-3-methyl-4-(pyrrolidine-1-carbonyl)benzamide
CID 69312655
N-[(1S)-5-acetamido-1-(6-chloro-1H-benzimidazol-2-yl)pentyl]-3-methyl-4-(pyrrolidine-1-carbonyl)benzamide
CID 59737140
2-[(2R)-2-(6-chloro-1H-benzimidazol-2-yl)-2-[[3-methyl-4-(pyrrolidine-1-carbonyl)benzoyl]amino]ethoxy]acetic acid
CID 59655106
N-[(1S)-1-(6-chloro-1H-benzimidazol-2-yl)-2-methylpropyl]-4-(2,5-dihydropyrrole-1-carbonyl)-3-methylbenzamide
CID 59655054

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-cyano-1H-benzimidazol-2-yl)ethyl]-3-methyl-4-(pyrrolidine-1-carbonyl)benzamide?
The IUPAC name of N-[1-(6-cyano-1H-benzimidazol-2-yl)ethyl]-3-methyl-4-(pyrrolidine-1-carbonyl)benzamide (CID 10250462) is N-[1-(6-cyano-1H-benzimidazol-2-yl)ethyl]-3-methyl-4-(pyrrolidine-1-carbonyl)benzamide.
What is the SMILES notation for N-[1-(6-cyano-1H-benzimidazol-2-yl)ethyl]-3-methyl-4-(pyrrolidine-1-carbonyl)benzamide?
The canonical SMILES for N-[1-(6-cyano-1H-benzimidazol-2-yl)ethyl]-3-methyl-4-(pyrrolidine-1-carbonyl)benzamide is Cc1cc(C(=O)NC(C)c2nc3ccc(C#N)cc3[nH]2)ccc1C(=O)N1CCCC1.
What is the InChIKey of N-[1-(6-cyano-1H-benzimidazol-2-yl)ethyl]-3-methyl-4-(pyrrolidine-1-carbonyl)benzamide?
The InChIKey is BVWCAWPVAPFWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-14-11-17(6-7-18(14)23(30)28-9-3-4-10-28)22(29)25-15(2)21-26-19-8-5-16(13-24)12-20(19)27-21/h5-8,11-12,15H,3-4,9-10H2,1-2H3,(H,25,29)(H,26,27).
What are the key properties of N-[1-(6-cyano-1H-benzimidazol-2-yl)ethyl]-3-methyl-4-(pyrrolidine-1-carbonyl)benzamide?
N-[1-(6-cyano-1H-benzimidazol-2-yl)ethyl]-3-methyl-4-(pyrrolidine-1-carbonyl)benzamide has a molecular weight of 401.47 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-cyano-1H-benzimidazol-2-yl)ethyl]-3-methyl-4-(pyrrolidine-1-carbonyl)benzamide is sourced from PubChem (CID 10250462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).