(2-methyl-1H-benzimidazol-4-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone

C18H17N3O — CID 110701133

IUPAC(2-methyl-1H-benzimidazol-4-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCc1nc2c(C(=O)N3c4ccccc4CC3C)cccc2[nH]1
InChIInChI=1S/C18H17N3O/c1-11-10-13-6-3-4-9-16(13)21(11)18(22)14-7-5-8-15-17(14)20-12(2)19-15/h3-9,11H,10H2,1-2H3,(H,19,20)
InChIKeyNPHUGHFRRIRCPG-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.46
Rot. Bonds1

About (2-methyl-1H-benzimidazol-4-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone

(2-methyl-1H-benzimidazol-4-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone (PubChem CID 110701133) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is (2-methyl-1H-benzimidazol-4-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name(2-methyl-1H-benzimidazol-4-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
PubChem CID110701133
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name(2-methyl-1H-benzimidazol-4-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCc1nc2c(C(=O)N3c4ccccc4CC3C)cccc2[nH]1
InChIInChI=1S/C18H17N3O/c1-11-10-13-6-3-4-9-16(13)21(11)18(22)14-7-5-8-15-17(14)20-12(2)19-15/h3-9,11H,10H2,1-2H3,(H,19,20)
InChIKeyNPHUGHFRRIRCPG-UHFFFAOYSA-N
XLogP3.46
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R)-2-methyl-2,3-dihydroindol-1-yl]-(2-methyl-3-nitrophenyl)methanone
CID 41066106
3,4-dihydro-1H-isoquinolin-2-yl-(2-methyl-1H-benzimidazol-4-yl)methanone
CID 110701020
(2-methoxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 19061805
(2-methyl-2,3-dihydroindol-1-yl)-(3-methyl-4-pyridinyl)methanone
CID 110863904
[(2S)-2-methyl-2,3-dihydroindol-1-yl]-(2-methylfuran-3-yl)methanone
CID 35523959
6-(2-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyridin-2-one
CID 107362801
(2-methyl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 15274130
(2,5-dimethylfuran-3-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 24655561
(2,5-dichlorophenyl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 29176451
(2,4-dimethyl-1,3-thiazol-5-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 42905966
(2-methyl-2,3-dihydroindol-1-yl)-[1-methyl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrazol-4-yl]methanone
CID 44824100
(2-iodo-4-methylphenyl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 100527033

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1H-benzimidazol-4-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of (2-methyl-1H-benzimidazol-4-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone (CID 110701133) is (2-methyl-1H-benzimidazol-4-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for (2-methyl-1H-benzimidazol-4-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for (2-methyl-1H-benzimidazol-4-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone is Cc1nc2c(C(=O)N3c4ccccc4CC3C)cccc2[nH]1.
What is the InChIKey of (2-methyl-1H-benzimidazol-4-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is NPHUGHFRRIRCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c1-11-10-13-6-3-4-9-16(13)21(11)18(22)14-7-5-8-15-17(14)20-12(2)19-15/h3-9,11H,10H2,1-2H3,(H,19,20).
What are the key properties of (2-methyl-1H-benzimidazol-4-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone?
(2-methyl-1H-benzimidazol-4-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone has a molecular weight of 291.35 g/mol, XLogP of 3.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1H-benzimidazol-4-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 110701133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).