4-[(1-ethylbenzimidazol-2-yl)amino]-N-methylbenzamide

C17H18N4O — CID 73051445

IUPAC4-[(1-ethylbenzimidazol-2-yl)amino]-N-methylbenzamide
SMILESCCn1c(Nc2ccc(C(=O)NC)cc2)nc2ccccc21
InChIInChI=1S/C17H18N4O/c1-3-21-15-7-5-4-6-14(15)20-17(21)19-13-10-8-12(9-11-13)16(22)18-2/h4-11H,3H2,1-2H3,(H,18,22)(H,19,20)
InChIKeyUPAMANNWVAXORA-UHFFFAOYSA-N
MW294.36 g/mol
LogP3.16
Rot. Bonds4

About 4-[(1-ethylbenzimidazol-2-yl)amino]-N-methylbenzamide

4-[(1-ethylbenzimidazol-2-yl)amino]-N-methylbenzamide (PubChem CID 73051445) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 4-[(1-ethylbenzimidazol-2-yl)amino]-N-methylbenzamide.

Molecular Properties

Compound Name4-[(1-ethylbenzimidazol-2-yl)amino]-N-methylbenzamide
PubChem CID73051445
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name4-[(1-ethylbenzimidazol-2-yl)amino]-N-methylbenzamide
SMILESCCn1c(Nc2ccc(C(=O)NC)cc2)nc2ccccc21
InChIInChI=1S/C17H18N4O/c1-3-21-15-7-5-4-6-14(15)20-17(21)19-13-10-8-12(9-11-13)16(22)18-2/h4-11H,3H2,1-2H3,(H,18,22)(H,19,20)
InChIKeyUPAMANNWVAXORA-UHFFFAOYSA-N
XLogP3.16
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 924376
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CID 27148276
N-(2-aminophenyl)-4-[(1-propylbenzimidazol-2-yl)amino]benzamide
CID 88993158
4-[[2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]acetyl]amino]-N-methylbenzamide
CID 55503123
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4-[[1-(2-cyclopentylethyl)benzimidazol-2-yl]amino]-N-hydroxybenzamide
CID 137378369
3-[2-[4-[3-(diethylamino)propylcarbamoyl]anilino]benzimidazol-1-yl]-N-methylbenzamide
CID 73051934
2-[2-(4-bromoanilino)benzimidazol-1-yl]acetic acid
CID 119027105
2-amino-N-(1-ethylbenzimidazol-2-yl)acetamide;hydrochloride
CID 119265457
4-[[[2-(2-ethylbenzimidazol-1-yl)acetyl]-methylamino]methyl]-N-methylbenzamide
CID 38746243
4-[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]amino]-N-methylbenzamide
CID 24609226

Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethylbenzimidazol-2-yl)amino]-N-methylbenzamide?
The IUPAC name of 4-[(1-ethylbenzimidazol-2-yl)amino]-N-methylbenzamide (CID 73051445) is 4-[(1-ethylbenzimidazol-2-yl)amino]-N-methylbenzamide.
What is the SMILES notation for 4-[(1-ethylbenzimidazol-2-yl)amino]-N-methylbenzamide?
The canonical SMILES for 4-[(1-ethylbenzimidazol-2-yl)amino]-N-methylbenzamide is CCn1c(Nc2ccc(C(=O)NC)cc2)nc2ccccc21.
What is the InChIKey of 4-[(1-ethylbenzimidazol-2-yl)amino]-N-methylbenzamide?
The InChIKey is UPAMANNWVAXORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-3-21-15-7-5-4-6-14(15)20-17(21)19-13-10-8-12(9-11-13)16(22)18-2/h4-11H,3H2,1-2H3,(H,18,22)(H,19,20).
What are the key properties of 4-[(1-ethylbenzimidazol-2-yl)amino]-N-methylbenzamide?
4-[(1-ethylbenzimidazol-2-yl)amino]-N-methylbenzamide has a molecular weight of 294.36 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethylbenzimidazol-2-yl)amino]-N-methylbenzamide is sourced from PubChem (CID 73051445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).