2-amino-N-[(3-methoxyphenyl)methyl]-1-(3-methoxypropyl)benzimidazole-5-carboxamide

C20H24N4O3 — CID 52942290

IUPAC2-amino-N-[(3-methoxyphenyl)methyl]-1-(3-methoxypropyl)benzimidazole-5-carboxamide
SMILESCOCCCn1c(N)nc2cc(C(=O)NCc3cccc(OC)c3)ccc21
InChIInChI=1S/C20H24N4O3/c1-26-10-4-9-24-18-8-7-15(12-17(18)23-20(24)21)19(25)22-13-14-5-3-6-16(11-14)27-2/h3,5-8,11-12H,4,9-10,13H2,1-2H3,(H2,21,23)(H,22,25)
InChIKeyAMZVEZIEXWADNU-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.59
Rot. Bonds8

About 2-amino-N-[(3-methoxyphenyl)methyl]-1-(3-methoxypropyl)benzimidazole-5-carboxamide

2-amino-N-[(3-methoxyphenyl)methyl]-1-(3-methoxypropyl)benzimidazole-5-carboxamide (PubChem CID 52942290) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 2-amino-N-[(3-methoxyphenyl)methyl]-1-(3-methoxypropyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(3-methoxyphenyl)methyl]-1-(3-methoxypropyl)benzimidazole-5-carboxamide
PubChem CID52942290
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name2-amino-N-[(3-methoxyphenyl)methyl]-1-(3-methoxypropyl)benzimidazole-5-carboxamide
SMILESCOCCCn1c(N)nc2cc(C(=O)NCc3cccc(OC)c3)ccc21
InChIInChI=1S/C20H24N4O3/c1-26-10-4-9-24-18-8-7-15(12-17(18)23-20(24)21)19(25)22-13-14-5-3-6-16(11-14)27-2/h3,5-8,11-12H,4,9-10,13H2,1-2H3,(H2,21,23)(H,22,25)
InChIKeyAMZVEZIEXWADNU-UHFFFAOYSA-N
XLogP2.59
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-N-[(3-aminophenyl)methyl]-3-N-[(3-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 10293708
3,5-diamino-N-[(3-methoxyphenyl)methyl]benzamide
CID 61102924
3-amino-N-[(3-methoxyphenyl)methyl]-4-methylbenzamide
CID 60873375
3-N-[(3-methoxyphenyl)methyl]-1-N-[(4-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 10272573
3-methoxy-N-[[1-(3-phenylpropyl)benzimidazol-2-yl]methyl]benzamide
CID 17007935
4-[(3-methoxyphenyl)methylcarbamoyl]benzoic acid
CID 61028664
4-methoxy-N-[[3-[[(4-methoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 4118576
3,4-difluoro-N-[(3-methoxyphenyl)methyl]benzamide
CID 30491738
1-[(3-methoxyphenyl)methyl]-2-(1-phenoxyethyl)-N-(2-phenylethyl)benzimidazole-5-carboxamide
CID 134127016
3-methoxy-N-[(1-methylbenzimidazol-5-yl)methyl]benzamide
CID 110785783
N-[(3-methoxyphenyl)methyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 35676429
2-(2-amino-5-methoxybenzimidazol-1-yl)ethylurea
CID 83114952

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3-methoxyphenyl)methyl]-1-(3-methoxypropyl)benzimidazole-5-carboxamide?
The IUPAC name of 2-amino-N-[(3-methoxyphenyl)methyl]-1-(3-methoxypropyl)benzimidazole-5-carboxamide (CID 52942290) is 2-amino-N-[(3-methoxyphenyl)methyl]-1-(3-methoxypropyl)benzimidazole-5-carboxamide.
What is the SMILES notation for 2-amino-N-[(3-methoxyphenyl)methyl]-1-(3-methoxypropyl)benzimidazole-5-carboxamide?
The canonical SMILES for 2-amino-N-[(3-methoxyphenyl)methyl]-1-(3-methoxypropyl)benzimidazole-5-carboxamide is COCCCn1c(N)nc2cc(C(=O)NCc3cccc(OC)c3)ccc21.
What is the InChIKey of 2-amino-N-[(3-methoxyphenyl)methyl]-1-(3-methoxypropyl)benzimidazole-5-carboxamide?
The InChIKey is AMZVEZIEXWADNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-26-10-4-9-24-18-8-7-15(12-17(18)23-20(24)21)19(25)22-13-14-5-3-6-16(11-14)27-2/h3,5-8,11-12H,4,9-10,13H2,1-2H3,(H2,21,23)(H,22,25).
What are the key properties of 2-amino-N-[(3-methoxyphenyl)methyl]-1-(3-methoxypropyl)benzimidazole-5-carboxamide?
2-amino-N-[(3-methoxyphenyl)methyl]-1-(3-methoxypropyl)benzimidazole-5-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 2.59, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3-methoxyphenyl)methyl]-1-(3-methoxypropyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 52942290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).