3-N-[5-(hydroxymethyl)-1-propylbenzimidazol-2-yl]benzene-1,3-dicarboxamide

C19H20N4O3 — CID 164600980

IUPAC3-N-[5-(hydroxymethyl)-1-propylbenzimidazol-2-yl]benzene-1,3-dicarboxamide
SMILESCCCn1c(NC(=O)c2cccc(C(N)=O)c2)nc2cc(CO)ccc21
InChIInChI=1S/C19H20N4O3/c1-2-8-23-16-7-6-12(11-24)9-15(16)21-19(23)22-18(26)14-5-3-4-13(10-14)17(20)25/h3-7,9-10,24H,2,8,11H2,1H3,(H2,20,25)(H,21,22,26)
InChIKeyAEWUMWRWGREICZ-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.29
Rot. Bonds6

About 3-N-[5-(hydroxymethyl)-1-propylbenzimidazol-2-yl]benzene-1,3-dicarboxamide

3-N-[5-(hydroxymethyl)-1-propylbenzimidazol-2-yl]benzene-1,3-dicarboxamide (PubChem CID 164600980) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 3-N-[5-(hydroxymethyl)-1-propylbenzimidazol-2-yl]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[5-(hydroxymethyl)-1-propylbenzimidazol-2-yl]benzene-1,3-dicarboxamide
PubChem CID164600980
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name3-N-[5-(hydroxymethyl)-1-propylbenzimidazol-2-yl]benzene-1,3-dicarboxamide
SMILESCCCn1c(NC(=O)c2cccc(C(N)=O)c2)nc2cc(CO)ccc21
InChIInChI=1S/C19H20N4O3/c1-2-8-23-16-7-6-12(11-24)9-15(16)21-19(23)22-18(26)14-5-3-4-13(10-14)17(20)25/h3-7,9-10,24H,2,8,11H2,1H3,(H2,20,25)(H,21,22,26)
InChIKeyAEWUMWRWGREICZ-UHFFFAOYSA-N
XLogP2.29
TPSA110.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-(1-propylbenzimidazol-2-yl)benzamide
CID 8914480
3-chloro-N-(1-propylbenzimidazol-2-yl)benzamide
CID 4800861
methyl 3-[[5-(hydroxymethyl)-1-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]benzimidazol-2-yl]carbamoyl]benzoate
CID 166454170
N-(5-amino-1-propylbenzimidazol-2-yl)-3-(benzenesulfonamido)benzamide
CID 68789371
N-[5-(hydroxymethyl)-1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-2-pyridin-3-ylpyridine-4-carboxamide
CID 139447725
N-(1-octylbenzimidazol-2-yl)benzamide
CID 21449929
ethyl (E)-3-[2-[(3-cyanobenzoyl)amino]-1-propylbenzimidazol-5-yl]prop-2-enoate
CID 139444684
3-N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]benzene-1,3-dicarboxamide
CID 164600976
3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(1-propylbenzimidazol-2-yl)benzamide
CID 24601105
N-[5-[acetyl(methyl)amino]-1-propylbenzimidazol-2-yl]-3-(benzenesulfonamido)benzamide
CID 52918651
methyl 3-[2-[(3-aminobenzoyl)amino]benzimidazol-1-yl]propanoate
CID 68792716
3-[[1-(6-bromohexyl)benzimidazol-2-yl]carbamoyl]benzoic acid
CID 172789945

Frequently Asked Questions

What is the IUPAC name of 3-N-[5-(hydroxymethyl)-1-propylbenzimidazol-2-yl]benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-[5-(hydroxymethyl)-1-propylbenzimidazol-2-yl]benzene-1,3-dicarboxamide (CID 164600980) is 3-N-[5-(hydroxymethyl)-1-propylbenzimidazol-2-yl]benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-[5-(hydroxymethyl)-1-propylbenzimidazol-2-yl]benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-[5-(hydroxymethyl)-1-propylbenzimidazol-2-yl]benzene-1,3-dicarboxamide is CCCn1c(NC(=O)c2cccc(C(N)=O)c2)nc2cc(CO)ccc21.
What is the InChIKey of 3-N-[5-(hydroxymethyl)-1-propylbenzimidazol-2-yl]benzene-1,3-dicarboxamide?
The InChIKey is AEWUMWRWGREICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-2-8-23-16-7-6-12(11-24)9-15(16)21-19(23)22-18(26)14-5-3-4-13(10-14)17(20)25/h3-7,9-10,24H,2,8,11H2,1H3,(H2,20,25)(H,21,22,26).
What are the key properties of 3-N-[5-(hydroxymethyl)-1-propylbenzimidazol-2-yl]benzene-1,3-dicarboxamide?
3-N-[5-(hydroxymethyl)-1-propylbenzimidazol-2-yl]benzene-1,3-dicarboxamide has a molecular weight of 352.39 g/mol, XLogP of 2.29, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[5-(hydroxymethyl)-1-propylbenzimidazol-2-yl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 164600980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).