1-(1-cyclopropylpropan-2-yl)-4-methoxybenzimidazol-2-amine

C14H19N3O — CID 113393056

IUPAC1-(1-cyclopropylpropan-2-yl)-4-methoxybenzimidazol-2-amine
SMILESCOc1cccc2c1nc(N)n2C(C)CC1CC1
InChIInChI=1S/C14H19N3O/c1-9(8-10-6-7-10)17-11-4-3-5-12(18-2)13(11)16-14(17)15/h3-5,9-10H,6-8H2,1-2H3,(H2,15,16)
InChIKeyRKNCOMJHRCUBMJ-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.99
Rot. Bonds4

About 1-(1-cyclopropylpropan-2-yl)-4-methoxybenzimidazol-2-amine

1-(1-cyclopropylpropan-2-yl)-4-methoxybenzimidazol-2-amine (PubChem CID 113393056) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-(1-cyclopropylpropan-2-yl)-4-methoxybenzimidazol-2-amine.

Molecular Properties

Compound Name1-(1-cyclopropylpropan-2-yl)-4-methoxybenzimidazol-2-amine
PubChem CID113393056
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-(1-cyclopropylpropan-2-yl)-4-methoxybenzimidazol-2-amine
SMILESCOc1cccc2c1nc(N)n2C(C)CC1CC1
InChIInChI=1S/C14H19N3O/c1-9(8-10-6-7-10)17-11-4-3-5-12(18-2)13(11)16-14(17)15/h3-5,9-10H,6-8H2,1-2H3,(H2,15,16)
InChIKeyRKNCOMJHRCUBMJ-UHFFFAOYSA-N
XLogP2.99
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrimido(1,2-a)benzimidazole, 1,4-dihydro-4-(4-methoxyphenyl)-2-methyl-
CID 3074967
2-(2,6-Difluorophenyl)-1-[(2,6-difluorophenyl)methyl]-4-methoxy-benzimidazole
CID 492672
[2-(1H-Benzoimidazol-4-yloxy)-ethyl]-benzyl-amine
CID 9881815
1-Benzyl-7-methoxy-2-piperazin-1-ylbenzimidazole
CID 11723654
N-[2-(2,6-dimethoxybenzimidazol-1-yl)ethyl]acetamide
CID 139451767
N-[3-(2,6-dimethoxybenzimidazol-1-yl)propyl]acetamide
CID 139451776
N-[2-(2-ethoxy-6-methoxybenzimidazol-1-yl)ethyl]cyclopropanecarboxamide
CID 139451780
(1-Ethyl-1H-benzoimidazol-2-yl)-(4-methoxy-benzyl)-amine
CID 1087008
1-(2-methoxyphenyl)-1H-1,3-benzodiazol-2-amine
CID 43148827
1-(1-Ethylbenzimidazol-2-yl)-3-(2-methoxyphenyl)urea
CID 2998393
dimethyl({2-[(1-phenyl-1H-1,3-benzodiazol-5-yl)oxy]ethyl})amine
CID 5328506
5-Substituted 1-Phenylbenzimidazole 30
CID 5328520

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylpropan-2-yl)-4-methoxybenzimidazol-2-amine?
The IUPAC name of 1-(1-cyclopropylpropan-2-yl)-4-methoxybenzimidazol-2-amine (CID 113393056) is 1-(1-cyclopropylpropan-2-yl)-4-methoxybenzimidazol-2-amine.
What is the SMILES notation for 1-(1-cyclopropylpropan-2-yl)-4-methoxybenzimidazol-2-amine?
The canonical SMILES for 1-(1-cyclopropylpropan-2-yl)-4-methoxybenzimidazol-2-amine is COc1cccc2c1nc(N)n2C(C)CC1CC1.
What is the InChIKey of 1-(1-cyclopropylpropan-2-yl)-4-methoxybenzimidazol-2-amine?
The InChIKey is RKNCOMJHRCUBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-9(8-10-6-7-10)17-11-4-3-5-12(18-2)13(11)16-14(17)15/h3-5,9-10H,6-8H2,1-2H3,(H2,15,16).
What are the key properties of 1-(1-cyclopropylpropan-2-yl)-4-methoxybenzimidazol-2-amine?
1-(1-cyclopropylpropan-2-yl)-4-methoxybenzimidazol-2-amine has a molecular weight of 245.33 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylpropan-2-yl)-4-methoxybenzimidazol-2-amine is sourced from PubChem (CID 113393056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).