3-methyl-5-propan-2-yl-1,2-dihydrobenzimidazole

C11H16N2 — CID 162748632

IUPAC3-methyl-5-propan-2-yl-1,2-dihydrobenzimidazole
SMILESCC(C)c1ccc2c(c1)N(C)CN2
InChIInChI=1S/C11H16N2/c1-8(2)9-4-5-10-11(6-9)13(3)7-12-10/h4-6,8,12H,7H2,1-3H3
InChIKeyKWWBBANKTXDDJM-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.63
Rot. Bonds1

About 3-methyl-5-propan-2-yl-1,2-dihydrobenzimidazole

3-methyl-5-propan-2-yl-1,2-dihydrobenzimidazole (PubChem CID 162748632) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 3-methyl-5-propan-2-yl-1,2-dihydrobenzimidazole.

Molecular Properties

Compound Name3-methyl-5-propan-2-yl-1,2-dihydrobenzimidazole
PubChem CID162748632
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name3-methyl-5-propan-2-yl-1,2-dihydrobenzimidazole
SMILESCC(C)c1ccc2c(c1)N(C)CN2
InChIInChI=1S/C11H16N2/c1-8(2)9-4-5-10-11(6-9)13(3)7-12-10/h4-6,8,12H,7H2,1-3H3
InChIKeyKWWBBANKTXDDJM-UHFFFAOYSA-N
XLogP2.63
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dimethyl-6-propan-2-yl-2,3-dihydro-1H-quinoxaline
CID 84620450
2-ethyl-4-methyl-6-propan-2-yl-2,3-dihydro-1H-quinoxaline
CID 84623191
4,5-dimethyl-7-propan-2-yl-1,2,3,4-tetrahydro-1,5-benzodiazepine
CID 84623178
1,4-dimethyl-6-propan-2-yl-2,3-dihydroquinoxaline
CID 58398104
1,3-dimethyl-5-propan-2-yl-2H-benzimidazole
CID 134492411
6-propan-2-yl-1,2,3,4-tetrahydroquinolin-4-amine
CID 82275604
7-propan-2-yl-3,4-dihydro-1H-quinoxalin-2-one
CID 84618877
3-methyl-6-propan-2-yl-2H-1,3-benzoxazole
CID 59286012
6-propan-2-yl-1,2-dihydroquinoxaline
CID 166091073
5-propan-2-yl-2,3-dihydro-1,3-benzothiazole
CID 146691583
1-ethyl-4-methyl-7-propan-2-yl-3H-quinoxalin-2-one
CID 153308057
(3R)-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-5-propan-2-yl-2,3-dihydro-1H-indole
CID 169244389

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-propan-2-yl-1,2-dihydrobenzimidazole?
The IUPAC name of 3-methyl-5-propan-2-yl-1,2-dihydrobenzimidazole (CID 162748632) is 3-methyl-5-propan-2-yl-1,2-dihydrobenzimidazole.
What is the SMILES notation for 3-methyl-5-propan-2-yl-1,2-dihydrobenzimidazole?
The canonical SMILES for 3-methyl-5-propan-2-yl-1,2-dihydrobenzimidazole is CC(C)c1ccc2c(c1)N(C)CN2.
What is the InChIKey of 3-methyl-5-propan-2-yl-1,2-dihydrobenzimidazole?
The InChIKey is KWWBBANKTXDDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-8(2)9-4-5-10-11(6-9)13(3)7-12-10/h4-6,8,12H,7H2,1-3H3.
What are the key properties of 3-methyl-5-propan-2-yl-1,2-dihydrobenzimidazole?
3-methyl-5-propan-2-yl-1,2-dihydrobenzimidazole has a molecular weight of 176.26 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-propan-2-yl-1,2-dihydrobenzimidazole is sourced from PubChem (CID 162748632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).