N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-1,7-dimethylindole-2-carboxamide

C20H20N4O2 — CID 72864091

IUPACN-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-1,7-dimethylindole-2-carboxamide
SMILESCOc1ccc2nc(CNC(=O)c3cc4cccc(C)c4n3C)[nH]c2c1
InChIInChI=1S/C20H20N4O2/c1-12-5-4-6-13-9-17(24(2)19(12)13)20(25)21-11-18-22-15-8-7-14(26-3)10-16(15)23-18/h4-10H,11H2,1-3H3,(H,21,25)(H,22,23)
InChIKeyMOLWVSVKXGRDNW-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.30
Rot. Bonds4

About N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-1,7-dimethylindole-2-carboxamide

N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-1,7-dimethylindole-2-carboxamide (PubChem CID 72864091) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-1,7-dimethylindole-2-carboxamide.

Molecular Properties

Compound NameN-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-1,7-dimethylindole-2-carboxamide
PubChem CID72864091
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC NameN-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-1,7-dimethylindole-2-carboxamide
SMILESCOc1ccc2nc(CNC(=O)c3cc4cccc(C)c4n3C)[nH]c2c1
InChIInChI=1S/C20H20N4O2/c1-12-5-4-6-13-9-17(24(2)19(12)13)20(25)21-11-18-22-15-8-7-14(26-3)10-16(15)23-18/h4-10H,11H2,1-3H3,(H,21,25)(H,22,23)
InChIKeyMOLWVSVKXGRDNW-UHFFFAOYSA-N
XLogP3.30
TPSA71.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 70740746
2-[(1,7-dimethylindole-2-carbonyl)amino]acetic acid
CID 110835889
N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 70738211
1,7-dimethyl-N-(pyridin-2-ylmethyl)indole-2-carboxamide
CID 110851900
N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-2-(methylamino)-1,3-thiazole-4-carboxamide
CID 131915305
N-(1H-benzimidazol-2-ylmethyl)-3-(2,5-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 121083943
N-(1H-benzimidazol-2-ylmethyl)-6-(4-methoxyphenyl)-1-methyl-2-oxopyrimidine-4-carboxamide
CID 146024032
N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-1-naphthalen-1-ylmethanamine
CID 134084471
6-methoxy-2-[(3-methoxyphenyl)methyl]-1H-benzimidazole
CID 65017876
1,7-dimethyl-N-[(3-pyrrolidin-1-ylphenyl)methyl]indole-2-carboxamide
CID 72880637
N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]oxolane-3-carboxamide
CID 118795023
N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]benzamide
CID 1474210

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-1,7-dimethylindole-2-carboxamide?
The IUPAC name of N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-1,7-dimethylindole-2-carboxamide (CID 72864091) is N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-1,7-dimethylindole-2-carboxamide.
What is the SMILES notation for N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-1,7-dimethylindole-2-carboxamide?
The canonical SMILES for N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-1,7-dimethylindole-2-carboxamide is COc1ccc2nc(CNC(=O)c3cc4cccc(C)c4n3C)[nH]c2c1.
What is the InChIKey of N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-1,7-dimethylindole-2-carboxamide?
The InChIKey is MOLWVSVKXGRDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-12-5-4-6-13-9-17(24(2)19(12)13)20(25)21-11-18-22-15-8-7-14(26-3)10-16(15)23-18/h4-10H,11H2,1-3H3,(H,21,25)(H,22,23).
What are the key properties of N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-1,7-dimethylindole-2-carboxamide?
N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-1,7-dimethylindole-2-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-1,7-dimethylindole-2-carboxamide is sourced from PubChem (CID 72864091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).