N-[1-(3-amino-3-oxopropyl)-5-(methylamino)benzimidazol-2-yl]-4-cyanobenzamide

C19H18N6O2 — CID 44588584

IUPACN-[1-(3-amino-3-oxopropyl)-5-(methylamino)benzimidazol-2-yl]-4-cyanobenzamide
SMILESCNc1ccc2c(c1)nc(NC(=O)c1ccc(C#N)cc1)n2CCC(N)=O
InChIInChI=1S/C19H18N6O2/c1-22-14-6-7-16-15(10-14)23-19(25(16)9-8-17(21)26)24-18(27)13-4-2-12(11-20)3-5-13/h2-7,10,22H,8-9H2,1H3,(H2,21,26)(H,23,24,27)
InChIKeyWLLFZPQWXZPVTP-UHFFFAOYSA-N
MW362.39 g/mol
LogP2.08
Rot. Bonds6

About N-[1-(3-amino-3-oxopropyl)-5-(methylamino)benzimidazol-2-yl]-4-cyanobenzamide

N-[1-(3-amino-3-oxopropyl)-5-(methylamino)benzimidazol-2-yl]-4-cyanobenzamide (PubChem CID 44588584) has the molecular formula C19H18N6O2 and a molecular weight of 362.39 g/mol. Its IUPAC name is N-[1-(3-amino-3-oxopropyl)-5-(methylamino)benzimidazol-2-yl]-4-cyanobenzamide.

Molecular Properties

Compound NameN-[1-(3-amino-3-oxopropyl)-5-(methylamino)benzimidazol-2-yl]-4-cyanobenzamide
PubChem CID44588584
Molecular FormulaC19H18N6O2
Molecular Weight362.39 g/mol
Exact Mass362.15
IUPAC NameN-[1-(3-amino-3-oxopropyl)-5-(methylamino)benzimidazol-2-yl]-4-cyanobenzamide
SMILESCNc1ccc2c(c1)nc(NC(=O)c1ccc(C#N)cc1)n2CCC(N)=O
InChIInChI=1S/C19H18N6O2/c1-22-14-6-7-16-15(10-14)23-19(25(16)9-8-17(21)26)24-18(27)13-4-2-12(11-20)3-5-13/h2-7,10,22H,8-9H2,1H3,(H2,21,26)(H,23,24,27)
InChIKeyWLLFZPQWXZPVTP-UHFFFAOYSA-N
XLogP2.08
TPSA125.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(3-amino-3-oxopropyl)-5-[1-(oxan-4-yl)-1-oxopropan-2-yl]benzimidazol-2-yl]-4-cyanobenzamide
CID 11190668
N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-4-cyano-3-methylbenzamide
CID 44589016
N-[1-(3-amino-3-oxopropyl)-2-[(4-bromobenzoyl)amino]benzimidazol-5-yl]-4-fluoro-N-methylbenzamide
CID 58742931
4-cyano-N-(1-ethylbenzimidazol-2-yl)benzamide
CID 27148276
N-[5-(anilinomethyl)-1-ethylbenzimidazol-2-yl]-4-cyanobenzamide
CID 142860950
N-[1-(2-aminoethyl)-5-[(2-cyclopentylacetyl)-methylamino]benzimidazol-2-yl]-4-cyanobenzamide
CID 58742894
N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-4-methylbenzamide
CID 44588794
4-cyano-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-(2-phenylethyl)benzimidazol-2-yl]benzamide
CID 44588918
N-[2-[(4-cyanophenyl)carbamoylamino]-1-(3-hydroxypropyl)benzimidazol-5-yl]-4-fluoro-N-methylbenzamide
CID 71259328
N-[1-[2-[acetyl(methyl)amino]ethyl]-5-[(2-cyclopentylacetyl)-methylamino]benzimidazol-2-yl]-4-cyanobenzamide
CID 58742545
N-(1-benzylbenzimidazol-2-yl)-4-cyanobenzamide
CID 35279688
N-[1-(3-amino-3-oxopropyl)-5-[methyl(2-phenylpropanoyl)amino]benzimidazol-2-yl]-4-bromobenzamide
CID 58742866

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-amino-3-oxopropyl)-5-(methylamino)benzimidazol-2-yl]-4-cyanobenzamide?
The IUPAC name of N-[1-(3-amino-3-oxopropyl)-5-(methylamino)benzimidazol-2-yl]-4-cyanobenzamide (CID 44588584) is N-[1-(3-amino-3-oxopropyl)-5-(methylamino)benzimidazol-2-yl]-4-cyanobenzamide.
What is the SMILES notation for N-[1-(3-amino-3-oxopropyl)-5-(methylamino)benzimidazol-2-yl]-4-cyanobenzamide?
The canonical SMILES for N-[1-(3-amino-3-oxopropyl)-5-(methylamino)benzimidazol-2-yl]-4-cyanobenzamide is CNc1ccc2c(c1)nc(NC(=O)c1ccc(C#N)cc1)n2CCC(N)=O.
What is the InChIKey of N-[1-(3-amino-3-oxopropyl)-5-(methylamino)benzimidazol-2-yl]-4-cyanobenzamide?
The InChIKey is WLLFZPQWXZPVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O2/c1-22-14-6-7-16-15(10-14)23-19(25(16)9-8-17(21)26)24-18(27)13-4-2-12(11-20)3-5-13/h2-7,10,22H,8-9H2,1H3,(H2,21,26)(H,23,24,27).
What are the key properties of N-[1-(3-amino-3-oxopropyl)-5-(methylamino)benzimidazol-2-yl]-4-cyanobenzamide?
N-[1-(3-amino-3-oxopropyl)-5-(methylamino)benzimidazol-2-yl]-4-cyanobenzamide has a molecular weight of 362.39 g/mol, XLogP of 2.08, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-amino-3-oxopropyl)-5-(methylamino)benzimidazol-2-yl]-4-cyanobenzamide is sourced from PubChem (CID 44588584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).