(1-cyclopropyl-2-pentylbenzimidazol-5-yl)methanamine

C16H23N3 — CID 65037611

IUPAC(1-cyclopropyl-2-pentylbenzimidazol-5-yl)methanamine
SMILESCCCCCc1nc2cc(CN)ccc2n1C1CC1
InChIInChI=1S/C16H23N3/c1-2-3-4-5-16-18-14-10-12(11-17)6-9-15(14)19(16)13-7-8-13/h6,9-10,13H,2-5,7-8,11,17H2,1H3
InChIKeySHXDNJCTPDZCMO-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.56
Rot. Bonds6

About (1-cyclopropyl-2-pentylbenzimidazol-5-yl)methanamine

(1-cyclopropyl-2-pentylbenzimidazol-5-yl)methanamine (PubChem CID 65037611) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is (1-cyclopropyl-2-pentylbenzimidazol-5-yl)methanamine.

Molecular Properties

Compound Name(1-cyclopropyl-2-pentylbenzimidazol-5-yl)methanamine
PubChem CID65037611
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name(1-cyclopropyl-2-pentylbenzimidazol-5-yl)methanamine
SMILESCCCCCc1nc2cc(CN)ccc2n1C1CC1
InChIInChI=1S/C16H23N3/c1-2-3-4-5-16-18-14-10-12(11-17)6-9-15(14)19(16)13-7-8-13/h6,9-10,13H,2-5,7-8,11,17H2,1H3
InChIKeySHXDNJCTPDZCMO-UHFFFAOYSA-N
XLogP3.56
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-cyclopropyl-2-pentylbenzimidazol-5-yl)methanamine?
The IUPAC name of (1-cyclopropyl-2-pentylbenzimidazol-5-yl)methanamine (CID 65037611) is (1-cyclopropyl-2-pentylbenzimidazol-5-yl)methanamine.
What is the SMILES notation for (1-cyclopropyl-2-pentylbenzimidazol-5-yl)methanamine?
The canonical SMILES for (1-cyclopropyl-2-pentylbenzimidazol-5-yl)methanamine is CCCCCc1nc2cc(CN)ccc2n1C1CC1.
What is the InChIKey of (1-cyclopropyl-2-pentylbenzimidazol-5-yl)methanamine?
The InChIKey is SHXDNJCTPDZCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-2-3-4-5-16-18-14-10-12(11-17)6-9-15(14)19(16)13-7-8-13/h6,9-10,13H,2-5,7-8,11,17H2,1H3.
What are the key properties of (1-cyclopropyl-2-pentylbenzimidazol-5-yl)methanamine?
(1-cyclopropyl-2-pentylbenzimidazol-5-yl)methanamine has a molecular weight of 257.38 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclopropyl-2-pentylbenzimidazol-5-yl)methanamine is sourced from PubChem (CID 65037611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).