4-chloro-N-[(1S)-1-(1-ethylbenzimidazol-2-yl)ethyl]benzamide

C18H18ClN3O — CID 751147

IUPAC4-chloro-N-[(1S)-1-(1-ethylbenzimidazol-2-yl)ethyl]benzamide
SMILESCCn1c([C@H](C)NC(=O)c2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C18H18ClN3O/c1-3-22-16-7-5-4-6-15(16)21-17(22)12(2)20-18(23)13-8-10-14(19)11-9-13/h4-12H,3H2,1-2H3,(H,20,23)/t12-/m0/s1
InChIKeyAPOHHZVAKRKDMO-LBPRGKRZSA-N
MW327.82 g/mol
LogP4.20
Rot. Bonds4

About 4-chloro-N-[(1S)-1-(1-ethylbenzimidazol-2-yl)ethyl]benzamide

4-chloro-N-[(1S)-1-(1-ethylbenzimidazol-2-yl)ethyl]benzamide (PubChem CID 751147) has the molecular formula C18H18ClN3O and a molecular weight of 327.82 g/mol. Its IUPAC name is 4-chloro-N-[(1S)-1-(1-ethylbenzimidazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(1S)-1-(1-ethylbenzimidazol-2-yl)ethyl]benzamide
PubChem CID751147
Molecular FormulaC18H18ClN3O
Molecular Weight327.82 g/mol
Exact Mass327.11
IUPAC Name4-chloro-N-[(1S)-1-(1-ethylbenzimidazol-2-yl)ethyl]benzamide
SMILESCCn1c([C@H](C)NC(=O)c2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C18H18ClN3O/c1-3-22-16-7-5-4-6-15(16)21-17(22)12(2)20-18(23)13-8-10-14(19)11-9-13/h4-12H,3H2,1-2H3,(H,20,23)/t12-/m0/s1
InChIKeyAPOHHZVAKRKDMO-LBPRGKRZSA-N
XLogP4.20
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.82
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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4-chloro-N-[1-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
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4-chloro-N-[1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
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CID 17009493
4-chloro-N-[1-[1-[2-oxo-2-(prop-2-enylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17029626
4-chloro-N-[1-[1-[2-(4-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17029611
6-amino-5-chloro-N-[(1S)-1-(1-ethylbenzimidazol-2-yl)ethyl]pyridine-3-carboxamide
CID 97060163
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CID 16967368
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CID 16967343
4-chloro-N-[1-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
CID 17009562
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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1S)-1-(1-ethylbenzimidazol-2-yl)ethyl]benzamide?
The IUPAC name of 4-chloro-N-[(1S)-1-(1-ethylbenzimidazol-2-yl)ethyl]benzamide (CID 751147) is 4-chloro-N-[(1S)-1-(1-ethylbenzimidazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[(1S)-1-(1-ethylbenzimidazol-2-yl)ethyl]benzamide?
The canonical SMILES for 4-chloro-N-[(1S)-1-(1-ethylbenzimidazol-2-yl)ethyl]benzamide is CCn1c([C@H](C)NC(=O)c2ccc(Cl)cc2)nc2ccccc21.
What is the InChIKey of 4-chloro-N-[(1S)-1-(1-ethylbenzimidazol-2-yl)ethyl]benzamide?
The InChIKey is APOHHZVAKRKDMO-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H18ClN3O/c1-3-22-16-7-5-4-6-15(16)21-17(22)12(2)20-18(23)13-8-10-14(19)11-9-13/h4-12H,3H2,1-2H3,(H,20,23)/t12-/m0/s1.
What are the key properties of 4-chloro-N-[(1S)-1-(1-ethylbenzimidazol-2-yl)ethyl]benzamide?
4-chloro-N-[(1S)-1-(1-ethylbenzimidazol-2-yl)ethyl]benzamide has a molecular weight of 327.82 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1S)-1-(1-ethylbenzimidazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 751147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).