2-propan-2-yl-3aH-benzimidazole

C10H12N2 — CID 53400241

IUPAC2-propan-2-yl-3aH-benzimidazole
SMILESCC(C)C1=NC2C=CC=CC2=N1
InChIInChI=1S/C10H12N2/c1-7(2)10-11-8-5-3-4-6-9(8)12-10/h3-8H,1-2H3
InChIKeyNROZNIGDUWQNLS-UHFFFAOYSA-N
MW160.22 g/mol
LogP1.99
Rot. Bonds1

About 2-propan-2-yl-3aH-benzimidazole

2-propan-2-yl-3aH-benzimidazole (PubChem CID 53400241) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 2-propan-2-yl-3aH-benzimidazole.

Molecular Properties

Compound Name2-propan-2-yl-3aH-benzimidazole
PubChem CID53400241
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name2-propan-2-yl-3aH-benzimidazole
SMILESCC(C)C1=NC2C=CC=CC2=N1
InChIInChI=1S/C10H12N2/c1-7(2)10-11-8-5-3-4-6-9(8)12-10/h3-8H,1-2H3
InChIKeyNROZNIGDUWQNLS-UHFFFAOYSA-N
XLogP1.99
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-propan-2-yl-3aH-benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,4-bis(3aH-benzimidazol-2-yl)butane-1,2,3,4-tetrol
CID 24870562
2-tert-butyl-3aH-benzimidazole
CID 53405530
2-[6-(3aH-benzimidazol-2-yl)-2-pyridinyl]-3aH-benzimidazole
CID 53422957
2-(3aH-benzimidazol-2-ylsulfinylmethyl)-N,N-dimethylaniline
CID 53423015
ethane;2-propan-2-yl-2,7a-dihydro-1H-benzimidazole
CID 177037156
CID 87071669
CID 87071669
9-methyl-8a,9a-dihydrocarbazole
CID 121338970
5,10a-dihydro-4aH-benzo[b][1,4]benzodiazepine
CID 173062828
2-iodo-7aH-indole
CID 146620139
2-tert-butyl-3aH-indole;2,2-dimethylpropane
CID 167620076
6-propan-2-yl-2-[6-(6-propan-2-yl-3aH-benzimidazol-2-yl)-2-pyridinyl]-3aH-benzimidazole;vanadium;trichloride
CID 173245306
2-methylsulfanyl-4,6-di(propan-2-yl)-2H-1,3,5-triazin-1-amine
CID 70181217

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-3aH-benzimidazole?
The IUPAC name of 2-propan-2-yl-3aH-benzimidazole (CID 53400241) is 2-propan-2-yl-3aH-benzimidazole.
What is the SMILES notation for 2-propan-2-yl-3aH-benzimidazole?
The canonical SMILES for 2-propan-2-yl-3aH-benzimidazole is CC(C)C1=NC2C=CC=CC2=N1.
What is the InChIKey of 2-propan-2-yl-3aH-benzimidazole?
The InChIKey is NROZNIGDUWQNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-7(2)10-11-8-5-3-4-6-9(8)12-10/h3-8H,1-2H3.
What are the key properties of 2-propan-2-yl-3aH-benzimidazole?
2-propan-2-yl-3aH-benzimidazole has a molecular weight of 160.22 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-3aH-benzimidazole is sourced from PubChem (CID 53400241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).