N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-5-methyl-1H-indole-2-carboxamide

C25H22N4O — CID 155516651

IUPACN-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-5-methyl-1H-indole-2-carboxamide
SMILESCc1ccc2[nH]c(C(=O)NCc3cccc(Cn4cnc5ccccc54)c3)cc2c1
InChIInChI=1S/C25H22N4O/c1-17-9-10-21-20(11-17)13-23(28-21)25(30)26-14-18-5-4-6-19(12-18)15-29-16-27-22-7-2-3-8-24(22)29/h2-13,16,28H,14-15H2,1H3,(H,26,30)
InChIKeyWFKGYGOSTSDOAJ-UHFFFAOYSA-N
MW394.48 g/mol
LogP4.80
Rot. Bonds5

About N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-5-methyl-1H-indole-2-carboxamide

N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-5-methyl-1H-indole-2-carboxamide (PubChem CID 155516651) has the molecular formula C25H22N4O and a molecular weight of 394.48 g/mol. Its IUPAC name is N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-5-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-5-methyl-1H-indole-2-carboxamide
PubChem CID155516651
Molecular FormulaC25H22N4O
Molecular Weight394.48 g/mol
Exact Mass394.18
IUPAC NameN-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-5-methyl-1H-indole-2-carboxamide
SMILESCc1ccc2[nH]c(C(=O)NCc3cccc(Cn4cnc5ccccc54)c3)cc2c1
InChIInChI=1S/C25H22N4O/c1-17-9-10-21-20(11-17)13-23(28-21)25(30)26-14-18-5-4-6-19(12-18)15-29-16-27-22-7-2-3-8-24(22)29/h2-13,16,28H,14-15H2,1H3,(H,26,30)
InChIKeyWFKGYGOSTSDOAJ-UHFFFAOYSA-N
XLogP4.80
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 2099
Ramosetron
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CID 107999
Examorelin
CID 6918297
[1-(3-Methylphenyl)-5-benzimidazolyl]-(1-piperidinyl)methanone
CID 3243760
Bix 02565
CID 53246941
Delavuridine
CID 72346
3-(5-Methyl-1H-imidazol-4-yl)-1-(1-methyl-1H-indol-3-yl)-1-propanone
CID 5311136
6-but-3-enyl-4-[1-methyl-6-(morpholine-4-carbonyl)benzimidazol-4-yl]-1H-pyrrolo[2,3-c]pyridin-7-one
CID 121335283
Piperazine, 1-(3-(ethylamino)-2-pyridinyl)-4-(1H-indol-2-ylcarbonyl)-
CID 453217

Frequently Asked Questions

What is the IUPAC name of N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-5-methyl-1H-indole-2-carboxamide?
The IUPAC name of N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-5-methyl-1H-indole-2-carboxamide (CID 155516651) is N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-5-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-5-methyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-5-methyl-1H-indole-2-carboxamide is Cc1ccc2[nH]c(C(=O)NCc3cccc(Cn4cnc5ccccc54)c3)cc2c1.
What is the InChIKey of N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-5-methyl-1H-indole-2-carboxamide?
The InChIKey is WFKGYGOSTSDOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O/c1-17-9-10-21-20(11-17)13-23(28-21)25(30)26-14-18-5-4-6-19(12-18)15-29-16-27-22-7-2-3-8-24(22)29/h2-13,16,28H,14-15H2,1H3,(H,26,30).
What are the key properties of N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-5-methyl-1H-indole-2-carboxamide?
N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-5-methyl-1H-indole-2-carboxamide has a molecular weight of 394.48 g/mol, XLogP of 4.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-5-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 155516651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).