4-(benzimidazol-1-yl)-N-[(2S)-pentan-2-yl]benzamide

C19H21N3O — CID 30332300

IUPAC4-(benzimidazol-1-yl)-N-[(2S)-pentan-2-yl]benzamide
SMILESCCC[C@H](C)NC(=O)c1ccc(-n2cnc3ccccc32)cc1
InChIInChI=1S/C19H21N3O/c1-3-6-14(2)21-19(23)15-9-11-16(12-10-15)22-13-20-17-7-4-5-8-18(17)22/h4-5,7-14H,3,6H2,1-2H3,(H,21,23)/t14-/m0/s1
InChIKeyRRGCHPIPEDIMGO-AWEZNQCLSA-N
MW307.40 g/mol
LogP3.94
Rot. Bonds5

About 4-(benzimidazol-1-yl)-N-[(2S)-pentan-2-yl]benzamide

4-(benzimidazol-1-yl)-N-[(2S)-pentan-2-yl]benzamide (PubChem CID 30332300) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 4-(benzimidazol-1-yl)-N-[(2S)-pentan-2-yl]benzamide.

Molecular Properties

Compound Name4-(benzimidazol-1-yl)-N-[(2S)-pentan-2-yl]benzamide
PubChem CID30332300
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name4-(benzimidazol-1-yl)-N-[(2S)-pentan-2-yl]benzamide
SMILESCCC[C@H](C)NC(=O)c1ccc(-n2cnc3ccccc32)cc1
InChIInChI=1S/C19H21N3O/c1-3-6-14(2)21-19(23)15-9-11-16(12-10-15)22-13-20-17-7-4-5-8-18(17)22/h4-5,7-14H,3,6H2,1-2H3,(H,21,23)/t14-/m0/s1
InChIKeyRRGCHPIPEDIMGO-AWEZNQCLSA-N
XLogP3.94
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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4-(benzimidazol-1-yl)-N-(1-hydroxybutan-2-yl)benzamide
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4-[[4-(benzimidazol-1-yl)benzoyl]amino]-N-propylbenzamide
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3-[[4-(benzimidazol-1-yl)phenyl]methylamino]-N-butan-2-ylpropanamide
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[(2R)-1-amino-1-oxopropan-2-yl] 4-(benzimidazol-1-yl)benzoate
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Frequently Asked Questions

What is the IUPAC name of 4-(benzimidazol-1-yl)-N-[(2S)-pentan-2-yl]benzamide?
The IUPAC name of 4-(benzimidazol-1-yl)-N-[(2S)-pentan-2-yl]benzamide (CID 30332300) is 4-(benzimidazol-1-yl)-N-[(2S)-pentan-2-yl]benzamide.
What is the SMILES notation for 4-(benzimidazol-1-yl)-N-[(2S)-pentan-2-yl]benzamide?
The canonical SMILES for 4-(benzimidazol-1-yl)-N-[(2S)-pentan-2-yl]benzamide is CCC[C@H](C)NC(=O)c1ccc(-n2cnc3ccccc32)cc1.
What is the InChIKey of 4-(benzimidazol-1-yl)-N-[(2S)-pentan-2-yl]benzamide?
The InChIKey is RRGCHPIPEDIMGO-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H21N3O/c1-3-6-14(2)21-19(23)15-9-11-16(12-10-15)22-13-20-17-7-4-5-8-18(17)22/h4-5,7-14H,3,6H2,1-2H3,(H,21,23)/t14-/m0/s1.
What are the key properties of 4-(benzimidazol-1-yl)-N-[(2S)-pentan-2-yl]benzamide?
4-(benzimidazol-1-yl)-N-[(2S)-pentan-2-yl]benzamide has a molecular weight of 307.40 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzimidazol-1-yl)-N-[(2S)-pentan-2-yl]benzamide is sourced from PubChem (CID 30332300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).