3-(4,6-dimethyl-1H-benzimidazol-2-yl)-N-[(1R,2R,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]propanamide

C21H27N5O2 — CID 110163679

IUPAC3-(4,6-dimethyl-1H-benzimidazol-2-yl)-N-[(1R,2R,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]propanamide
SMILESCc1cc(C)c2nc(CCC(=O)N[C@@H]3CC[C@@H](n4ccnc4C)[C@@H]3O)[nH]c2c1
InChIInChI=1S/C21H27N5O2/c1-12-10-13(2)20-16(11-12)23-18(25-20)6-7-19(27)24-15-4-5-17(21(15)28)26-9-8-22-14(26)3/h8-11,15,17,21,28H,4-7H2,1-3H3,(H,23,25)(H,24,27)/t15-,17-,21-/m1/s1
InChIKeyPKNJKUONLFOERU-QLVMHMETSA-N
MW381.48 g/mol
LogP2.50
Rot. Bonds5

About 3-(4,6-dimethyl-1H-benzimidazol-2-yl)-N-[(1R,2R,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]propanamide

3-(4,6-dimethyl-1H-benzimidazol-2-yl)-N-[(1R,2R,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]propanamide (PubChem CID 110163679) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 3-(4,6-dimethyl-1H-benzimidazol-2-yl)-N-[(1R,2R,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]propanamide.

Molecular Properties

Compound Name3-(4,6-dimethyl-1H-benzimidazol-2-yl)-N-[(1R,2R,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]propanamide
PubChem CID110163679
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name3-(4,6-dimethyl-1H-benzimidazol-2-yl)-N-[(1R,2R,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]propanamide
SMILESCc1cc(C)c2nc(CCC(=O)N[C@@H]3CC[C@@H](n4ccnc4C)[C@@H]3O)[nH]c2c1
InChIInChI=1S/C21H27N5O2/c1-12-10-13(2)20-16(11-12)23-18(25-20)6-7-19(27)24-15-4-5-17(21(15)28)26-9-8-22-14(26)3/h8-11,15,17,21,28H,4-7H2,1-3H3,(H,23,25)(H,24,27)/t15-,17-,21-/m1/s1
InChIKeyPKNJKUONLFOERU-QLVMHMETSA-N
XLogP2.50
TPSA95.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethyl-1H-benzimidazol-2-yl)-N-[(1R,2R,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]propanamide?
The IUPAC name of 3-(4,6-dimethyl-1H-benzimidazol-2-yl)-N-[(1R,2R,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]propanamide (CID 110163679) is 3-(4,6-dimethyl-1H-benzimidazol-2-yl)-N-[(1R,2R,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]propanamide.
What is the SMILES notation for 3-(4,6-dimethyl-1H-benzimidazol-2-yl)-N-[(1R,2R,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]propanamide?
The canonical SMILES for 3-(4,6-dimethyl-1H-benzimidazol-2-yl)-N-[(1R,2R,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]propanamide is Cc1cc(C)c2nc(CCC(=O)N[C@@H]3CC[C@@H](n4ccnc4C)[C@@H]3O)[nH]c2c1.
What is the InChIKey of 3-(4,6-dimethyl-1H-benzimidazol-2-yl)-N-[(1R,2R,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]propanamide?
The InChIKey is PKNJKUONLFOERU-QLVMHMETSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-12-10-13(2)20-16(11-12)23-18(25-20)6-7-19(27)24-15-4-5-17(21(15)28)26-9-8-22-14(26)3/h8-11,15,17,21,28H,4-7H2,1-3H3,(H,23,25)(H,24,27)/t15-,17-,21-/m1/s1.
What are the key properties of 3-(4,6-dimethyl-1H-benzimidazol-2-yl)-N-[(1R,2R,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]propanamide?
3-(4,6-dimethyl-1H-benzimidazol-2-yl)-N-[(1R,2R,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]propanamide has a molecular weight of 381.48 g/mol, XLogP of 2.50, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethyl-1H-benzimidazol-2-yl)-N-[(1R,2R,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]propanamide is sourced from PubChem (CID 110163679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).