N-[(1-propylbenzimidazol-5-yl)methyl]-1H-indole-2-carboxamide

C20H20N4O — CID 50844690

IUPACN-[(1-propylbenzimidazol-5-yl)methyl]-1H-indole-2-carboxamide
SMILESCCCn1cnc2cc(CNC(=O)c3cc4ccccc4[nH]3)ccc21
InChIInChI=1S/C20H20N4O/c1-2-9-24-13-22-17-10-14(7-8-19(17)24)12-21-20(25)18-11-15-5-3-4-6-16(15)23-18/h3-8,10-11,13,23H,2,9,12H2,1H3,(H,21,25)
InChIKeyMUXQLWVOAYTUNG-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.86
Rot. Bonds5

About N-[(1-propylbenzimidazol-5-yl)methyl]-1H-indole-2-carboxamide

N-[(1-propylbenzimidazol-5-yl)methyl]-1H-indole-2-carboxamide (PubChem CID 50844690) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is N-[(1-propylbenzimidazol-5-yl)methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(1-propylbenzimidazol-5-yl)methyl]-1H-indole-2-carboxamide
PubChem CID50844690
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC NameN-[(1-propylbenzimidazol-5-yl)methyl]-1H-indole-2-carboxamide
SMILESCCCn1cnc2cc(CNC(=O)c3cc4ccccc4[nH]3)ccc21
InChIInChI=1S/C20H20N4O/c1-2-9-24-13-22-17-10-14(7-8-19(17)24)12-21-20(25)18-11-15-5-3-4-6-16(15)23-18/h3-8,10-11,13,23H,2,9,12H2,1H3,(H,21,25)
InChIKeyMUXQLWVOAYTUNG-UHFFFAOYSA-N
XLogP3.86
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-propylbenzimidazol-5-yl)methyl]-4-(trifluoromethyl)benzamide
CID 50844722
N-[(4-bromophenyl)methyl]-1H-indole-2-carboxamide
CID 46921176
N-[[4-(propylaminocarbamoyl)phenyl]methyl]-1H-indole-2-carboxamide
CID 163196273
[4-[(1H-indole-2-carbonylamino)methyl]phenyl]boronic acid
CID 140927918
N-[(4-sulfamoylphenyl)methyl]-1H-indole-2-carboxamide
CID 23025509
N-(furan-3-ylmethyl)-1H-indole-2-carboxamide
CID 47034241
N-[[4-(difluoromethoxy)phenyl]methyl]-1H-indole-2-carboxamide
CID 42006153
N-[3-[(9-ethylcarbazol-3-yl)methylamino]propyl]-1H-indole-2-carboxamide
CID 175455610
bis(N-benzyl-1H-indole-2-carboxamide);ethane;ethanol;1H-indole-2-carboxylic acid;methanol;phenylmethanamine
CID 159149105
N-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole-2-carboxamide
CID 9483409
N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-1H-indole-2-carboxamide
CID 90515664
N-(1,3-thiazol-4-ylmethyl)-1H-indole-2-carboxamide
CID 49346434

Frequently Asked Questions

What is the IUPAC name of N-[(1-propylbenzimidazol-5-yl)methyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[(1-propylbenzimidazol-5-yl)methyl]-1H-indole-2-carboxamide (CID 50844690) is N-[(1-propylbenzimidazol-5-yl)methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(1-propylbenzimidazol-5-yl)methyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[(1-propylbenzimidazol-5-yl)methyl]-1H-indole-2-carboxamide is CCCn1cnc2cc(CNC(=O)c3cc4ccccc4[nH]3)ccc21.
What is the InChIKey of N-[(1-propylbenzimidazol-5-yl)methyl]-1H-indole-2-carboxamide?
The InChIKey is MUXQLWVOAYTUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-2-9-24-13-22-17-10-14(7-8-19(17)24)12-21-20(25)18-11-15-5-3-4-6-16(15)23-18/h3-8,10-11,13,23H,2,9,12H2,1H3,(H,21,25).
What are the key properties of N-[(1-propylbenzimidazol-5-yl)methyl]-1H-indole-2-carboxamide?
N-[(1-propylbenzimidazol-5-yl)methyl]-1H-indole-2-carboxamide has a molecular weight of 332.41 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propylbenzimidazol-5-yl)methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 50844690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).