6-(5-chloro-1-cyclopropylbenzimidazol-2-yl)hexan-1-amine

C16H22ClN3 — CID 60783944

IUPAC6-(5-chloro-1-cyclopropylbenzimidazol-2-yl)hexan-1-amine
SMILESNCCCCCCc1nc2cc(Cl)ccc2n1C1CC1
InChIInChI=1S/C16H22ClN3/c17-12-6-9-15-14(11-12)19-16(20(15)13-7-8-13)5-3-1-2-4-10-18/h6,9,11,13H,1-5,7-8,10,18H2
InChIKeyPRDNPJCSAQJTLM-UHFFFAOYSA-N
MW291.83 g/mol
LogP4.09
Rot. Bonds7

About 6-(5-chloro-1-cyclopropylbenzimidazol-2-yl)hexan-1-amine

6-(5-chloro-1-cyclopropylbenzimidazol-2-yl)hexan-1-amine (PubChem CID 60783944) has the molecular formula C16H22ClN3 and a molecular weight of 291.83 g/mol. Its IUPAC name is 6-(5-chloro-1-cyclopropylbenzimidazol-2-yl)hexan-1-amine.

Molecular Properties

Compound Name6-(5-chloro-1-cyclopropylbenzimidazol-2-yl)hexan-1-amine
PubChem CID60783944
Molecular FormulaC16H22ClN3
Molecular Weight291.83 g/mol
Exact Mass291.15
IUPAC Name6-(5-chloro-1-cyclopropylbenzimidazol-2-yl)hexan-1-amine
SMILESNCCCCCCc1nc2cc(Cl)ccc2n1C1CC1
InChIInChI=1S/C16H22ClN3/c17-12-6-9-15-14(11-12)19-16(20(15)13-7-8-13)5-3-1-2-4-10-18/h6,9,11,13H,1-5,7-8,10,18H2
InChIKeyPRDNPJCSAQJTLM-UHFFFAOYSA-N
XLogP4.09
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.83
LogP ≤ 54.09
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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Related Compounds

3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)propan-1-amine
CID 60785360
5-chloro-2-(4-chlorobutyl)-1-cyclopropylbenzimidazole
CID 54919972
6-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)hexan-1-amine
CID 62378467
1-amino-3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-2-methylpropan-2-ol
CID 66003739
(1-cyclopropyl-2-pentylbenzimidazol-5-yl)methanamine
CID 65037611
2-(3-chloropropyl)-1-cyclopropyl-5-methylbenzimidazole
CID 60783894
3-[5-chloro-2-(chloromethyl)benzimidazol-1-yl]cyclopentan-1-ol
CID 118114327
1-cyclopropyl-2-hexylbenzimidazole-5-carbonitrile
CID 114754152
1-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-N-ethylpropan-2-amine
CID 62827796
4-(5-chloro-1-cyclopropylbenzimidazol-2-yl)cyclohexan-1-amine
CID 60808589
2-[4-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-1,3-thiazol-2-yl]ethanamine
CID 66379416
5-[5-chloro-2-(2-chloroethyl)benzimidazol-1-yl]-1-methylpiperidin-2-one
CID 64667410

Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-1-cyclopropylbenzimidazol-2-yl)hexan-1-amine?
The IUPAC name of 6-(5-chloro-1-cyclopropylbenzimidazol-2-yl)hexan-1-amine (CID 60783944) is 6-(5-chloro-1-cyclopropylbenzimidazol-2-yl)hexan-1-amine.
What is the SMILES notation for 6-(5-chloro-1-cyclopropylbenzimidazol-2-yl)hexan-1-amine?
The canonical SMILES for 6-(5-chloro-1-cyclopropylbenzimidazol-2-yl)hexan-1-amine is NCCCCCCc1nc2cc(Cl)ccc2n1C1CC1.
What is the InChIKey of 6-(5-chloro-1-cyclopropylbenzimidazol-2-yl)hexan-1-amine?
The InChIKey is PRDNPJCSAQJTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3/c17-12-6-9-15-14(11-12)19-16(20(15)13-7-8-13)5-3-1-2-4-10-18/h6,9,11,13H,1-5,7-8,10,18H2.
What are the key properties of 6-(5-chloro-1-cyclopropylbenzimidazol-2-yl)hexan-1-amine?
6-(5-chloro-1-cyclopropylbenzimidazol-2-yl)hexan-1-amine has a molecular weight of 291.83 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chloro-1-cyclopropylbenzimidazol-2-yl)hexan-1-amine is sourced from PubChem (CID 60783944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).