N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-methylindole-2-carboxamide

C21H22N4O — CID 75903083

IUPACN-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-methylindole-2-carboxamide
SMILESCC(C)C(NC(=O)c1cc2ccccc2n1C)c1nc2ccccc2[nH]1
InChIInChI=1S/C21H22N4O/c1-13(2)19(20-22-15-9-5-6-10-16(15)23-20)24-21(26)18-12-14-8-4-7-11-17(14)25(18)3/h4-13,19H,1-3H3,(H,22,23)(H,24,26)
InChIKeyRMWPFTAQDICGCC-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.18
Rot. Bonds4

About N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-methylindole-2-carboxamide

N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-methylindole-2-carboxamide (PubChem CID 75903083) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-methylindole-2-carboxamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-methylindole-2-carboxamide
PubChem CID75903083
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC NameN-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-methylindole-2-carboxamide
SMILESCC(C)C(NC(=O)c1cc2ccccc2n1C)c1nc2ccccc2[nH]1
InChIInChI=1S/C21H22N4O/c1-13(2)19(20-22-15-9-5-6-10-16(15)23-20)24-21(26)18-12-14-8-4-7-11-17(14)25(18)3/h4-13,19H,1-3H3,(H,22,23)(H,24,26)
InChIKeyRMWPFTAQDICGCC-UHFFFAOYSA-N
XLogP4.18
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-methylindole-5-carboxamide
CID 86206903
N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-methylindole-6-carboxamide
CID 124847703
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-benzofuran-2-carboxamide
CID 4876620
1-methyl-N-(3-methylbutan-2-yl)indole-2-carboxamide
CID 18712124
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-chlorobenzamide
CID 3701693
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-bromobenzamide
CID 8927969
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-fluorobenzamide
CID 4779807
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 23474627
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-indol-1-ylacetamide
CID 86207491
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-propan-2-ylindole-4-carboxamide
CID 86207604
N-[(1R)-1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]-1-methylindole-2-carboxamide
CID 58417663
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-cyanobenzamide
CID 51158118

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-methylindole-2-carboxamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-methylindole-2-carboxamide (CID 75903083) is N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-methylindole-2-carboxamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-methylindole-2-carboxamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-methylindole-2-carboxamide is CC(C)C(NC(=O)c1cc2ccccc2n1C)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-methylindole-2-carboxamide?
The InChIKey is RMWPFTAQDICGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-13(2)19(20-22-15-9-5-6-10-16(15)23-20)24-21(26)18-12-14-8-4-7-11-17(14)25(18)3/h4-13,19H,1-3H3,(H,22,23)(H,24,26).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-methylindole-2-carboxamide?
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-methylindole-2-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-methylindole-2-carboxamide is sourced from PubChem (CID 75903083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).