(3S)-3-(2-amino-5-chlorobenzimidazol-1-yl)-N-(cyclohexylmethyl)pentanamide

C19H27ClN4O — CID 46238536

IUPAC(3S)-3-(2-amino-5-chlorobenzimidazol-1-yl)-N-(cyclohexylmethyl)pentanamide
SMILESCC[C@@H](CC(=O)NCC1CCCCC1)n1c(N)nc2cc(Cl)ccc21
InChIInChI=1S/C19H27ClN4O/c1-2-15(11-18(25)22-12-13-6-4-3-5-7-13)24-17-9-8-14(20)10-16(17)23-19(24)21/h8-10,13,15H,2-7,11-12H2,1H3,(H2,21,23)(H,22,25)/t15-/m0/s1
InChIKeyUKACQFCXAAAWAE-HNNXBMFYSA-N
MW362.91 g/mol
LogP4.31
Rot. Bonds6

About (3S)-3-(2-amino-5-chlorobenzimidazol-1-yl)-N-(cyclohexylmethyl)pentanamide

(3S)-3-(2-amino-5-chlorobenzimidazol-1-yl)-N-(cyclohexylmethyl)pentanamide (PubChem CID 46238536) has the molecular formula C19H27ClN4O and a molecular weight of 362.91 g/mol. Its IUPAC name is (3S)-3-(2-amino-5-chlorobenzimidazol-1-yl)-N-(cyclohexylmethyl)pentanamide.

Molecular Properties

Compound Name(3S)-3-(2-amino-5-chlorobenzimidazol-1-yl)-N-(cyclohexylmethyl)pentanamide
PubChem CID46238536
Molecular FormulaC19H27ClN4O
Molecular Weight362.91 g/mol
Exact Mass362.19
IUPAC Name(3S)-3-(2-amino-5-chlorobenzimidazol-1-yl)-N-(cyclohexylmethyl)pentanamide
SMILESCC[C@@H](CC(=O)NCC1CCCCC1)n1c(N)nc2cc(Cl)ccc21
InChIInChI=1S/C19H27ClN4O/c1-2-15(11-18(25)22-12-13-6-4-3-5-7-13)24-17-9-8-14(20)10-16(17)23-19(24)21/h8-10,13,15H,2-7,11-12H2,1H3,(H2,21,23)(H,22,25)/t15-/m0/s1
InChIKeyUKACQFCXAAAWAE-HNNXBMFYSA-N
XLogP4.31
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.91
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2-amino-5-chlorobenzimidazol-1-yl)-N-(cyclohexylmethyl)pentanamide?
The IUPAC name of (3S)-3-(2-amino-5-chlorobenzimidazol-1-yl)-N-(cyclohexylmethyl)pentanamide (CID 46238536) is (3S)-3-(2-amino-5-chlorobenzimidazol-1-yl)-N-(cyclohexylmethyl)pentanamide.
What is the SMILES notation for (3S)-3-(2-amino-5-chlorobenzimidazol-1-yl)-N-(cyclohexylmethyl)pentanamide?
The canonical SMILES for (3S)-3-(2-amino-5-chlorobenzimidazol-1-yl)-N-(cyclohexylmethyl)pentanamide is CC[C@@H](CC(=O)NCC1CCCCC1)n1c(N)nc2cc(Cl)ccc21.
What is the InChIKey of (3S)-3-(2-amino-5-chlorobenzimidazol-1-yl)-N-(cyclohexylmethyl)pentanamide?
The InChIKey is UKACQFCXAAAWAE-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H27ClN4O/c1-2-15(11-18(25)22-12-13-6-4-3-5-7-13)24-17-9-8-14(20)10-16(17)23-19(24)21/h8-10,13,15H,2-7,11-12H2,1H3,(H2,21,23)(H,22,25)/t15-/m0/s1.
What are the key properties of (3S)-3-(2-amino-5-chlorobenzimidazol-1-yl)-N-(cyclohexylmethyl)pentanamide?
(3S)-3-(2-amino-5-chlorobenzimidazol-1-yl)-N-(cyclohexylmethyl)pentanamide has a molecular weight of 362.91 g/mol, XLogP of 4.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2-amino-5-chlorobenzimidazol-1-yl)-N-(cyclohexylmethyl)pentanamide is sourced from PubChem (CID 46238536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).