2-(2-ethylbenzimidazol-1-yl)-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]acetamide

C22H23N5O — CID 31357913

IUPAC2-(2-ethylbenzimidazol-1-yl)-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]acetamide
SMILESCCc1nc2ccccc2n1CC(=O)N[C@@H](c1ccccc1)c1nccn1C
InChIInChI=1S/C22H23N5O/c1-3-19-24-17-11-7-8-12-18(17)27(19)15-20(28)25-21(16-9-5-4-6-10-16)22-23-13-14-26(22)2/h4-14,21H,3,15H2,1-2H3,(H,25,28)/t21-/m0/s1
InChIKeyOTPXJUDBQYKEOD-NRFANRHFSA-N
MW373.46 g/mol
LogP3.24
Rot. Bonds6

About 2-(2-ethylbenzimidazol-1-yl)-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]acetamide

2-(2-ethylbenzimidazol-1-yl)-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]acetamide (PubChem CID 31357913) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is 2-(2-ethylbenzimidazol-1-yl)-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]acetamide.

Molecular Properties

Compound Name2-(2-ethylbenzimidazol-1-yl)-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]acetamide
PubChem CID31357913
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name2-(2-ethylbenzimidazol-1-yl)-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]acetamide
SMILESCCc1nc2ccccc2n1CC(=O)N[C@@H](c1ccccc1)c1nccn1C
InChIInChI=1S/C22H23N5O/c1-3-19-24-17-11-7-8-12-18(17)27(19)15-20(28)25-21(16-9-5-4-6-10-16)22-23-13-14-26(22)2/h4-14,21H,3,15H2,1-2H3,(H,25,28)/t21-/m0/s1
InChIKeyOTPXJUDBQYKEOD-NRFANRHFSA-N
XLogP3.24
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-ethylbenzimidazol-1-yl)-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide
CID 51102469
3-amino-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide
CID 61253020
N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-piperidin-1-ylacetamide
CID 17490913
N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]-2-quinolin-2-ylsulfanylacetamide
CID 40795360
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-2-phenylsulfanylacetamide
CID 40809503
N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methylindol-1-yl)acetamide
CID 40809559
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methylindol-1-yl)acetamide
CID 17488613
2-(4,5-dimethylimidazol-1-yl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide
CID 90647674
(2S)-2-[[2-(2-ethylbenzimidazol-1-yl)acetyl]amino]-3-phenylpropanoic acid
CID 119366771
(2S,3S)-2-[[2-(2-ethylbenzimidazol-1-yl)acetyl]amino]-3-methylpentanoic acid
CID 119194002
N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-naphthalen-1-yloxyacetamide
CID 17446536
2-(2-ethylbenzimidazol-1-yl)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]acetamide
CID 55855526

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylbenzimidazol-1-yl)-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]acetamide?
The IUPAC name of 2-(2-ethylbenzimidazol-1-yl)-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]acetamide (CID 31357913) is 2-(2-ethylbenzimidazol-1-yl)-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]acetamide.
What is the SMILES notation for 2-(2-ethylbenzimidazol-1-yl)-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]acetamide?
The canonical SMILES for 2-(2-ethylbenzimidazol-1-yl)-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]acetamide is CCc1nc2ccccc2n1CC(=O)N[C@@H](c1ccccc1)c1nccn1C.
What is the InChIKey of 2-(2-ethylbenzimidazol-1-yl)-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]acetamide?
The InChIKey is OTPXJUDBQYKEOD-NRFANRHFSA-N. The full InChI is InChI=1S/C22H23N5O/c1-3-19-24-17-11-7-8-12-18(17)27(19)15-20(28)25-21(16-9-5-4-6-10-16)22-23-13-14-26(22)2/h4-14,21H,3,15H2,1-2H3,(H,25,28)/t21-/m0/s1.
What are the key properties of 2-(2-ethylbenzimidazol-1-yl)-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]acetamide?
2-(2-ethylbenzimidazol-1-yl)-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]acetamide has a molecular weight of 373.46 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylbenzimidazol-1-yl)-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]acetamide is sourced from PubChem (CID 31357913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).