(2R)-2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(cyclohexylmethyl)propanamide

C21H29N3OS — CID 41289534

IUPAC(2R)-2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(cyclohexylmethyl)propanamide
SMILESCc1[nH]c(S[C@H](C)C(=O)NCC2CCCCC2)nc1Cc1ccccc1
InChIInChI=1S/C21H29N3OS/c1-15-19(13-17-9-5-3-6-10-17)24-21(23-15)26-16(2)20(25)22-14-18-11-7-4-8-12-18/h3,5-6,9-10,16,18H,4,7-8,11-14H2,1-2H3,(H,22,25)(H,23,24)/t16-/m1/s1
InChIKeyQVZPNJDEGJNWEK-MRXNPFEDSA-N
MW371.55 g/mol
LogP4.49
Rot. Bonds7

About (2R)-2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(cyclohexylmethyl)propanamide

(2R)-2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(cyclohexylmethyl)propanamide (PubChem CID 41289534) has the molecular formula C21H29N3OS and a molecular weight of 371.55 g/mol. Its IUPAC name is (2R)-2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(cyclohexylmethyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(cyclohexylmethyl)propanamide
PubChem CID41289534
Molecular FormulaC21H29N3OS
Molecular Weight371.55 g/mol
Exact Mass371.20
IUPAC Name(2R)-2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(cyclohexylmethyl)propanamide
SMILESCc1[nH]c(S[C@H](C)C(=O)NCC2CCCCC2)nc1Cc1ccccc1
InChIInChI=1S/C21H29N3OS/c1-15-19(13-17-9-5-3-6-10-17)24-21(23-15)26-16(2)20(25)22-14-18-11-7-4-8-12-18/h3,5-6,9-10,16,18H,4,7-8,11-14H2,1-2H3,(H,22,25)(H,23,24)/t16-/m1/s1
InChIKeyQVZPNJDEGJNWEK-MRXNPFEDSA-N
XLogP4.49
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.55
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(cyclohexylmethyl)propanamide?
The IUPAC name of (2R)-2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(cyclohexylmethyl)propanamide (CID 41289534) is (2R)-2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(cyclohexylmethyl)propanamide.
What is the SMILES notation for (2R)-2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(cyclohexylmethyl)propanamide?
The canonical SMILES for (2R)-2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(cyclohexylmethyl)propanamide is Cc1[nH]c(S[C@H](C)C(=O)NCC2CCCCC2)nc1Cc1ccccc1.
What is the InChIKey of (2R)-2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(cyclohexylmethyl)propanamide?
The InChIKey is QVZPNJDEGJNWEK-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H29N3OS/c1-15-19(13-17-9-5-3-6-10-17)24-21(23-15)26-16(2)20(25)22-14-18-11-7-4-8-12-18/h3,5-6,9-10,16,18H,4,7-8,11-14H2,1-2H3,(H,22,25)(H,23,24)/t16-/m1/s1.
What are the key properties of (2R)-2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(cyclohexylmethyl)propanamide?
(2R)-2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(cyclohexylmethyl)propanamide has a molecular weight of 371.55 g/mol, XLogP of 4.49, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(cyclohexylmethyl)propanamide is sourced from PubChem (CID 41289534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).