1-[1H-benzimidazol-2-yl(methyl)amino]-3-methoxypropan-2-ol

C12H17N3O2 — CID 55125582

IUPAC1-[1H-benzimidazol-2-yl(methyl)amino]-3-methoxypropan-2-ol
SMILESCOCC(O)CN(C)c1nc2ccccc2[nH]1
InChIInChI=1S/C12H17N3O2/c1-15(7-9(16)8-17-2)12-13-10-5-3-4-6-11(10)14-12/h3-6,9,16H,7-8H2,1-2H3,(H,13,14)
InChIKeyDQIDJNPQFKCUQV-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.01
Rot. Bonds5

About 1-[1H-benzimidazol-2-yl(methyl)amino]-3-methoxypropan-2-ol

1-[1H-benzimidazol-2-yl(methyl)amino]-3-methoxypropan-2-ol (PubChem CID 55125582) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 1-[1H-benzimidazol-2-yl(methyl)amino]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[1H-benzimidazol-2-yl(methyl)amino]-3-methoxypropan-2-ol
PubChem CID55125582
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name1-[1H-benzimidazol-2-yl(methyl)amino]-3-methoxypropan-2-ol
SMILESCOCC(O)CN(C)c1nc2ccccc2[nH]1
InChIInChI=1S/C12H17N3O2/c1-15(7-9(16)8-17-2)12-13-10-5-3-4-6-11(10)14-12/h3-6,9,16H,7-8H2,1-2H3,(H,13,14)
InChIKeyDQIDJNPQFKCUQV-UHFFFAOYSA-N
XLogP1.01
TPSA61.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyethyl)-N-methyl-1H-benzimidazol-2-amine
CID 133409792
N-(2-chloropropyl)-N-methyl-1H-benzimidazol-2-amine
CID 63392162
1-[1,3-benzoxazol-2-yl(methyl)amino]-3-methoxypropan-2-ol
CID 54979252
1-methoxy-3-[methyl-(3-methylquinoxalin-2-yl)amino]propan-2-ol
CID 62375523
N-butyl-N-methyl-1H-benzimidazol-2-amine
CID 71723451
5-[1H-benzimidazol-2-yl(methyl)amino]pentan-1-ol
CID 107203344
N,N-dimethyl-1H-benzimidazol-2-amine
CID 17846
1-methoxy-3-[methyl-(4-phenylquinazolin-2-yl)amino]propan-2-ol
CID 47069006
methyl N-(1H-benzimidazol-2-yl)-N-methylcarbamate
CID 69230726
N-methyl-N-propan-2-yl-1H-benzimidazol-2-amine
CID 90287555
N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-1H-benzimidazol-2-amine
CID 133410822
N-(2-methoxyphenyl)-N-methyl-1H-benzimidazol-2-amine
CID 115143824

Frequently Asked Questions

What is the IUPAC name of 1-[1H-benzimidazol-2-yl(methyl)amino]-3-methoxypropan-2-ol?
The IUPAC name of 1-[1H-benzimidazol-2-yl(methyl)amino]-3-methoxypropan-2-ol (CID 55125582) is 1-[1H-benzimidazol-2-yl(methyl)amino]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[1H-benzimidazol-2-yl(methyl)amino]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[1H-benzimidazol-2-yl(methyl)amino]-3-methoxypropan-2-ol is COCC(O)CN(C)c1nc2ccccc2[nH]1.
What is the InChIKey of 1-[1H-benzimidazol-2-yl(methyl)amino]-3-methoxypropan-2-ol?
The InChIKey is DQIDJNPQFKCUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-15(7-9(16)8-17-2)12-13-10-5-3-4-6-11(10)14-12/h3-6,9,16H,7-8H2,1-2H3,(H,13,14).
What are the key properties of 1-[1H-benzimidazol-2-yl(methyl)amino]-3-methoxypropan-2-ol?
1-[1H-benzimidazol-2-yl(methyl)amino]-3-methoxypropan-2-ol has a molecular weight of 235.29 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1H-benzimidazol-2-yl(methyl)amino]-3-methoxypropan-2-ol is sourced from PubChem (CID 55125582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).