(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-cyclopropylmethanamine

C14H18ClN3 — CID 55108333

IUPAC(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-cyclopropylmethanamine
SMILESCC(C)n1c(C(N)C2CC2)nc2cccc(Cl)c21
InChIInChI=1S/C14H18ClN3/c1-8(2)18-13-10(15)4-3-5-11(13)17-14(18)12(16)9-6-7-9/h3-5,8-9,12H,6-7,16H2,1-2H3
InChIKeyFHMPVJRSAIUQBD-UHFFFAOYSA-N
MW263.77 g/mol
LogP3.68
Rot. Bonds3

About (7-chloro-1-propan-2-ylbenzimidazol-2-yl)-cyclopropylmethanamine

(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-cyclopropylmethanamine (PubChem CID 55108333) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is (7-chloro-1-propan-2-ylbenzimidazol-2-yl)-cyclopropylmethanamine.

Molecular Properties

Compound Name(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-cyclopropylmethanamine
PubChem CID55108333
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC Name(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-cyclopropylmethanamine
SMILESCC(C)n1c(C(N)C2CC2)nc2cccc(Cl)c21
InChIInChI=1S/C14H18ClN3/c1-8(2)18-13-10(15)4-3-5-11(13)17-14(18)12(16)9-6-7-9/h3-5,8-9,12H,6-7,16H2,1-2H3
InChIKeyFHMPVJRSAIUQBD-UHFFFAOYSA-N
XLogP3.68
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (7-chloro-1-propan-2-ylbenzimidazol-2-yl)-cyclopropylmethanamine?
The IUPAC name of (7-chloro-1-propan-2-ylbenzimidazol-2-yl)-cyclopropylmethanamine (CID 55108333) is (7-chloro-1-propan-2-ylbenzimidazol-2-yl)-cyclopropylmethanamine.
What is the SMILES notation for (7-chloro-1-propan-2-ylbenzimidazol-2-yl)-cyclopropylmethanamine?
The canonical SMILES for (7-chloro-1-propan-2-ylbenzimidazol-2-yl)-cyclopropylmethanamine is CC(C)n1c(C(N)C2CC2)nc2cccc(Cl)c21.
What is the InChIKey of (7-chloro-1-propan-2-ylbenzimidazol-2-yl)-cyclopropylmethanamine?
The InChIKey is FHMPVJRSAIUQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3/c1-8(2)18-13-10(15)4-3-5-11(13)17-14(18)12(16)9-6-7-9/h3-5,8-9,12H,6-7,16H2,1-2H3.
What are the key properties of (7-chloro-1-propan-2-ylbenzimidazol-2-yl)-cyclopropylmethanamine?
(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-cyclopropylmethanamine has a molecular weight of 263.77 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-1-propan-2-ylbenzimidazol-2-yl)-cyclopropylmethanamine is sourced from PubChem (CID 55108333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).