1-amino-3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-2-methylpropan-2-ol

C14H18ClN3O — CID 66003739

IUPAC1-amino-3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-2-methylpropan-2-ol
SMILESCC(O)(CN)Cc1nc2cc(Cl)ccc2n1C1CC1
InChIInChI=1S/C14H18ClN3O/c1-14(19,8-16)7-13-17-11-6-9(15)2-5-12(11)18(13)10-3-4-10/h2,5-6,10,19H,3-4,7-8,16H2,1H3
InChIKeyZRVCFVMWBWMLED-UHFFFAOYSA-N
MW279.77 g/mol
LogP2.28
Rot. Bonds4

About 1-amino-3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-2-methylpropan-2-ol

1-amino-3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-2-methylpropan-2-ol (PubChem CID 66003739) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is 1-amino-3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-amino-3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-2-methylpropan-2-ol
PubChem CID66003739
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name1-amino-3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-2-methylpropan-2-ol
SMILESCC(O)(CN)Cc1nc2cc(Cl)ccc2n1C1CC1
InChIInChI=1S/C14H18ClN3O/c1-14(19,8-16)7-13-17-11-6-9(15)2-5-12(11)18(13)10-3-4-10/h2,5-6,10,19H,3-4,7-8,16H2,1H3
InChIKeyZRVCFVMWBWMLED-UHFFFAOYSA-N
XLogP2.28
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)propan-1-amine
CID 60785360
6-(5-chloro-1-cyclopropylbenzimidazol-2-yl)hexan-1-amine
CID 60783944
ethyl 2-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-2-methylpropanoate
CID 79482795
5-chloro-2-(4-chlorobutyl)-1-cyclopropylbenzimidazole
CID 54919972
4-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-3,3-dimethylbutanoic acid
CID 115472319
3-[5-chloro-2-(chloromethyl)benzimidazol-1-yl]cyclopentan-1-ol
CID 118114327
1-cyclopropyl-2-(2,2-dimethylpropyl)benzimidazole-5-carboxylic acid
CID 82488600
4-(5-chloro-1-cyclopropylbenzimidazol-2-yl)aniline
CID 60785041
1-cyclopentyl-2-(2,2-dimethylpropyl)benzimidazol-5-amine
CID 96668227
1-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-N-ethylpropan-2-amine
CID 62827796
3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)aniline
CID 60783299
2-[(6-chloro-1-cyclopropylbenzimidazol-2-yl)methyl]butan-1-amine
CID 115473342

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-2-methylpropan-2-ol?
The IUPAC name of 1-amino-3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-2-methylpropan-2-ol (CID 66003739) is 1-amino-3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-amino-3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-2-methylpropan-2-ol?
The canonical SMILES for 1-amino-3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-2-methylpropan-2-ol is CC(O)(CN)Cc1nc2cc(Cl)ccc2n1C1CC1.
What is the InChIKey of 1-amino-3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-2-methylpropan-2-ol?
The InChIKey is ZRVCFVMWBWMLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O/c1-14(19,8-16)7-13-17-11-6-9(15)2-5-12(11)18(13)10-3-4-10/h2,5-6,10,19H,3-4,7-8,16H2,1H3.
What are the key properties of 1-amino-3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-2-methylpropan-2-ol?
1-amino-3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-2-methylpropan-2-ol has a molecular weight of 279.77 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-2-methylpropan-2-ol is sourced from PubChem (CID 66003739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).