N-(1H-benzimidazol-2-yl)-4,6,7-trimethoxy-1H-indole-2-carboxamide

C19H18N4O4 — CID 46445811

IUPACN-(1H-benzimidazol-2-yl)-4,6,7-trimethoxy-1H-indole-2-carboxamide
SMILESCOc1cc(OC)c2cc(C(=O)Nc3nc4ccccc4[nH]3)[nH]c2c1OC
InChIInChI=1S/C19H18N4O4/c1-25-14-9-15(26-2)17(27-3)16-10(14)8-13(20-16)18(24)23-19-21-11-6-4-5-7-12(11)22-19/h4-9,20H,1-3H3,(H2,21,22,23,24)
InChIKeyGCBLNOCABQHEPY-UHFFFAOYSA-N
MW366.38 g/mol
LogP3.32
Rot. Bonds5

About N-(1H-benzimidazol-2-yl)-4,6,7-trimethoxy-1H-indole-2-carboxamide

N-(1H-benzimidazol-2-yl)-4,6,7-trimethoxy-1H-indole-2-carboxamide (PubChem CID 46445811) has the molecular formula C19H18N4O4 and a molecular weight of 366.38 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-4,6,7-trimethoxy-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-4,6,7-trimethoxy-1H-indole-2-carboxamide
PubChem CID46445811
Molecular FormulaC19H18N4O4
Molecular Weight366.38 g/mol
Exact Mass366.13
IUPAC NameN-(1H-benzimidazol-2-yl)-4,6,7-trimethoxy-1H-indole-2-carboxamide
SMILESCOc1cc(OC)c2cc(C(=O)Nc3nc4ccccc4[nH]3)[nH]c2c1OC
InChIInChI=1S/C19H18N4O4/c1-25-14-9-15(26-2)17(27-3)16-10(14)8-13(20-16)18(24)23-19-21-11-6-4-5-7-12(11)22-19/h4-9,20H,1-3H3,(H2,21,22,23,24)
InChIKeyGCBLNOCABQHEPY-UHFFFAOYSA-N
XLogP3.32
TPSA101.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1H-benzimidazol-2-yl)-4-(difluoromethoxy)-3,5-dimethoxybenzamide
CID 167880656
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CID 4695097
N-(1H-benzimidazol-2-yl)-4-bromo-2-methoxybenzamide
CID 78987804
N-[1-(1H-benzimidazol-2-ylamino)-4-methyl-1-oxopentan-2-yl]-3,4,5-trimethoxybenzamide
CID 53199794
N-(1H-benzimidazol-2-yl)-3-methoxy-5-phenylthiophene-2-carboxamide
CID 52667720
4,6,7-trimethoxy-N-[4-(propanoylamino)phenyl]-1H-indole-2-carboxamide
CID 55847127
2-amino-N-(1H-benzimidazol-2-yl)-4-methoxybenzamide
CID 115413254
N-(1H-benzimidazol-2-yl)-1H-benzimidazole-2-carboxamide
CID 12620222
N-(1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 27649691
methyl N-(1H-benzimidazol-2-yl)carbamoperoxoate
CID 13411944
N-(1H-benzimidazol-2-yl)pyridine-4-carboxamide
CID 896334
N-(1H-benzimidazol-2-yl)-6-methoxypyridine-3-carboxamide
CID 27649712

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-4,6,7-trimethoxy-1H-indole-2-carboxamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-4,6,7-trimethoxy-1H-indole-2-carboxamide (CID 46445811) is N-(1H-benzimidazol-2-yl)-4,6,7-trimethoxy-1H-indole-2-carboxamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-4,6,7-trimethoxy-1H-indole-2-carboxamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-4,6,7-trimethoxy-1H-indole-2-carboxamide is COc1cc(OC)c2cc(C(=O)Nc3nc4ccccc4[nH]3)[nH]c2c1OC.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-4,6,7-trimethoxy-1H-indole-2-carboxamide?
The InChIKey is GCBLNOCABQHEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4/c1-25-14-9-15(26-2)17(27-3)16-10(14)8-13(20-16)18(24)23-19-21-11-6-4-5-7-12(11)22-19/h4-9,20H,1-3H3,(H2,21,22,23,24).
What are the key properties of N-(1H-benzimidazol-2-yl)-4,6,7-trimethoxy-1H-indole-2-carboxamide?
N-(1H-benzimidazol-2-yl)-4,6,7-trimethoxy-1H-indole-2-carboxamide has a molecular weight of 366.38 g/mol, XLogP of 3.32, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-4,6,7-trimethoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 46445811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).