1-cyclopropyl-4-(4-methyl-3-pyridinyl)benzimidazole

C16H15N3 — CID 56952128

IUPAC1-cyclopropyl-4-(4-methyl-3-pyridinyl)benzimidazole
SMILESCc1ccncc1-c1cccc2c1ncn2C1CC1
InChIInChI=1S/C16H15N3/c1-11-7-8-17-9-14(11)13-3-2-4-15-16(13)18-10-19(15)12-5-6-12/h2-4,7-10,12H,5-6H2,1H3
InChIKeyNTAYCISWXHBATA-UHFFFAOYSA-N
MW249.32 g/mol
LogP3.74
Rot. Bonds2

About 1-cyclopropyl-4-(4-methyl-3-pyridinyl)benzimidazole

1-cyclopropyl-4-(4-methyl-3-pyridinyl)benzimidazole (PubChem CID 56952128) has the molecular formula C16H15N3 and a molecular weight of 249.32 g/mol. Its IUPAC name is 1-cyclopropyl-4-(4-methyl-3-pyridinyl)benzimidazole.

Molecular Properties

Compound Name1-cyclopropyl-4-(4-methyl-3-pyridinyl)benzimidazole
PubChem CID56952128
Molecular FormulaC16H15N3
Molecular Weight249.32 g/mol
Exact Mass249.13
IUPAC Name1-cyclopropyl-4-(4-methyl-3-pyridinyl)benzimidazole
SMILESCc1ccncc1-c1cccc2c1ncn2C1CC1
InChIInChI=1S/C16H15N3/c1-11-7-8-17-9-14(11)13-3-2-4-15-16(13)18-10-19(15)12-5-6-12/h2-4,7-10,12H,5-6H2,1H3
InChIKeyNTAYCISWXHBATA-UHFFFAOYSA-N
XLogP3.74
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-(4-methyl-3-pyridinyl)benzimidazole?
The IUPAC name of 1-cyclopropyl-4-(4-methyl-3-pyridinyl)benzimidazole (CID 56952128) is 1-cyclopropyl-4-(4-methyl-3-pyridinyl)benzimidazole.
What is the SMILES notation for 1-cyclopropyl-4-(4-methyl-3-pyridinyl)benzimidazole?
The canonical SMILES for 1-cyclopropyl-4-(4-methyl-3-pyridinyl)benzimidazole is Cc1ccncc1-c1cccc2c1ncn2C1CC1.
What is the InChIKey of 1-cyclopropyl-4-(4-methyl-3-pyridinyl)benzimidazole?
The InChIKey is NTAYCISWXHBATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3/c1-11-7-8-17-9-14(11)13-3-2-4-15-16(13)18-10-19(15)12-5-6-12/h2-4,7-10,12H,5-6H2,1H3.
What are the key properties of 1-cyclopropyl-4-(4-methyl-3-pyridinyl)benzimidazole?
1-cyclopropyl-4-(4-methyl-3-pyridinyl)benzimidazole has a molecular weight of 249.32 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-(4-methyl-3-pyridinyl)benzimidazole is sourced from PubChem (CID 56952128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).