2-cyclopropyl-4-ethyl-1H-benzimidazole

C12H14N2 — CID 91216645

IUPAC2-cyclopropyl-4-ethyl-1H-benzimidazole
SMILESCCc1cccc2[nH]c(C3CC3)nc12
InChIInChI=1S/C12H14N2/c1-2-8-4-3-5-10-11(8)14-12(13-10)9-6-7-9/h3-5,9H,2,6-7H2,1H3,(H,13,14)
InChIKeyPYIQWACWUHJZHI-UHFFFAOYSA-N
MW186.26 g/mol
LogP3.00
Rot. Bonds2

About 2-cyclopropyl-4-ethyl-1H-benzimidazole

2-cyclopropyl-4-ethyl-1H-benzimidazole (PubChem CID 91216645) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 2-cyclopropyl-4-ethyl-1H-benzimidazole.

Molecular Properties

Compound Name2-cyclopropyl-4-ethyl-1H-benzimidazole
PubChem CID91216645
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name2-cyclopropyl-4-ethyl-1H-benzimidazole
SMILESCCc1cccc2[nH]c(C3CC3)nc12
InChIInChI=1S/C12H14N2/c1-2-8-4-3-5-10-11(8)14-12(13-10)9-6-7-9/h3-5,9H,2,6-7H2,1H3,(H,13,14)
InChIKeyPYIQWACWUHJZHI-UHFFFAOYSA-N
XLogP3.00
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclopropyl-N-methyl-1H-benzimidazol-4-amine
CID 91442078
4-methyl-2-piperidin-4-yl-1H-benzimidazole
CID 18761517
[2-(oxan-3-yl)-1H-benzimidazol-4-yl]methanamine
CID 104721251
2-(4-methoxycyclohexyl)-1H-benzimidazole-4-carboxamide
CID 10221158
4-methylsulfonyl-2-piperidin-4-yl-1H-benzimidazole
CID 82007515
1-(2-cyclopropyl-7-ethyl-3H-benzimidazol-4-yl)ethenol
CID 136636180
cis-(1S,3R)-3-(4-methyl-1H-benzimidazol-2-yl)cyclopentan-1-amine
CID 106322532
2-piperidin-4-yl-4-(trifluoromethyl)-1H-benzimidazole
CID 70238368
4-fluoro-2-piperidin-4-yl-1H-benzimidazole
CID 54592970
2-(4-phenylcyclohexyl)-1H-benzimidazole-4-carboxamide
CID 22718147
2-(4,4-difluorocyclohexyl)-4-methylsulfonyl-1H-benzimidazole
CID 82000877
methyl 2-(oxan-4-yl)-1H-benzimidazole-4-carboxylate
CID 113293378

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-ethyl-1H-benzimidazole?
The IUPAC name of 2-cyclopropyl-4-ethyl-1H-benzimidazole (CID 91216645) is 2-cyclopropyl-4-ethyl-1H-benzimidazole.
What is the SMILES notation for 2-cyclopropyl-4-ethyl-1H-benzimidazole?
The canonical SMILES for 2-cyclopropyl-4-ethyl-1H-benzimidazole is CCc1cccc2[nH]c(C3CC3)nc12.
What is the InChIKey of 2-cyclopropyl-4-ethyl-1H-benzimidazole?
The InChIKey is PYIQWACWUHJZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-2-8-4-3-5-10-11(8)14-12(13-10)9-6-7-9/h3-5,9H,2,6-7H2,1H3,(H,13,14).
What are the key properties of 2-cyclopropyl-4-ethyl-1H-benzimidazole?
2-cyclopropyl-4-ethyl-1H-benzimidazole has a molecular weight of 186.26 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-ethyl-1H-benzimidazole is sourced from PubChem (CID 91216645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).