2-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-N-ethylpropan-2-amine

C15H22ClN3 — CID 62819494

IUPAC2-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-N-ethylpropan-2-amine
SMILESCCNC(C)(C)c1nc2cccc(Cl)c2n1C(C)C
InChIInChI=1S/C15H22ClN3/c1-6-17-15(4,5)14-18-12-9-7-8-11(16)13(12)19(14)10(2)3/h7-10,17H,6H2,1-5H3
InChIKeyAQFSHALHDLJEMB-UHFFFAOYSA-N
MW279.81 g/mol
LogP4.12
Rot. Bonds4

About 2-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-N-ethylpropan-2-amine

2-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-N-ethylpropan-2-amine (PubChem CID 62819494) has the molecular formula C15H22ClN3 and a molecular weight of 279.81 g/mol. Its IUPAC name is 2-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-N-ethylpropan-2-amine.

Molecular Properties

Compound Name2-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-N-ethylpropan-2-amine
PubChem CID62819494
Molecular FormulaC15H22ClN3
Molecular Weight279.81 g/mol
Exact Mass279.15
IUPAC Name2-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-N-ethylpropan-2-amine
SMILESCCNC(C)(C)c1nc2cccc(Cl)c2n1C(C)C
InChIInChI=1S/C15H22ClN3/c1-6-17-15(4,5)14-18-12-9-7-8-11(16)13(12)19(14)10(2)3/h7-10,17H,6H2,1-5H3
InChIKeyAQFSHALHDLJEMB-UHFFFAOYSA-N
XLogP4.12
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-N-ethylpropan-1-amine
CID 55123252
2-(7-chloro-1-ethylbenzimidazol-2-yl)-N-methylpropan-2-amine
CID 62819320
2-(7-chloro-1-methylbenzimidazol-2-yl)-N-ethylpropan-1-amine
CID 62853148
3-amino-3-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)propan-1-ol
CID 61230072
3-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)propanoic acid
CID 54920211
7-chloro-2-(chloromethyl)-1-hexan-2-ylbenzimidazole
CID 63545795
7-chloro-2-(chloromethyl)-1-(3-methylpentan-2-yl)benzimidazole
CID 63545399
(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-cyclopropylmethanamine
CID 55108333
7-chloro-1-(4,4,4-trifluorobutan-2-yl)benzimidazol-2-amine
CID 114129976
3-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)aniline
CID 60788267
5-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)thiophen-2-amine
CID 60786771
7-chloro-2-(1-chloroethyl)-1-(2,2-dimethylbutyl)benzimidazole
CID 103463020

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-N-ethylpropan-2-amine?
The IUPAC name of 2-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-N-ethylpropan-2-amine (CID 62819494) is 2-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-N-ethylpropan-2-amine.
What is the SMILES notation for 2-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-N-ethylpropan-2-amine?
The canonical SMILES for 2-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-N-ethylpropan-2-amine is CCNC(C)(C)c1nc2cccc(Cl)c2n1C(C)C.
What is the InChIKey of 2-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-N-ethylpropan-2-amine?
The InChIKey is AQFSHALHDLJEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3/c1-6-17-15(4,5)14-18-12-9-7-8-11(16)13(12)19(14)10(2)3/h7-10,17H,6H2,1-5H3.
What are the key properties of 2-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-N-ethylpropan-2-amine?
2-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-N-ethylpropan-2-amine has a molecular weight of 279.81 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-N-ethylpropan-2-amine is sourced from PubChem (CID 62819494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).