[1-[[(1-methylbenzimidazol-5-yl)methylamino]methyl]cyclopropyl]methanol

C14H19N3O — CID 115243491

IUPAC[1-[[(1-methylbenzimidazol-5-yl)methylamino]methyl]cyclopropyl]methanol
SMILESCn1cnc2cc(CNCC3(CO)CC3)ccc21
InChIInChI=1S/C14H19N3O/c1-17-10-16-12-6-11(2-3-13(12)17)7-15-8-14(9-18)4-5-14/h2-3,6,10,15,18H,4-5,7-9H2,1H3
InChIKeyRXQOFSXYAUFBDU-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.44
Rot. Bonds5

About [1-[[(1-methylbenzimidazol-5-yl)methylamino]methyl]cyclopropyl]methanol

[1-[[(1-methylbenzimidazol-5-yl)methylamino]methyl]cyclopropyl]methanol (PubChem CID 115243491) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is [1-[[(1-methylbenzimidazol-5-yl)methylamino]methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[[(1-methylbenzimidazol-5-yl)methylamino]methyl]cyclopropyl]methanol
PubChem CID115243491
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name[1-[[(1-methylbenzimidazol-5-yl)methylamino]methyl]cyclopropyl]methanol
SMILESCn1cnc2cc(CNCC3(CO)CC3)ccc21
InChIInChI=1S/C14H19N3O/c1-17-10-16-12-6-11(2-3-13(12)17)7-15-8-14(9-18)4-5-14/h2-3,6,10,15,18H,4-5,7-9H2,1H3
InChIKeyRXQOFSXYAUFBDU-UHFFFAOYSA-N
XLogP1.44
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(1-methylbenzimidazol-5-yl)ethanamine
CID 115244333
4-[(1-methylbenzimidazol-5-yl)methylamino]butan-1-ol
CID 115217622
[2-(1-methylbenzimidazol-5-yl)ethylamino]methanol
CID 115229361
2-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]butane-1,4-diamine
CID 115202593
1-N-[(1-methylbenzimidazol-5-yl)methyl]butane-1,3-diamine
CID 115199334
methane;(1-methylbenzimidazol-5-yl)methanamine
CID 159204423
N-[[1-(aminomethyl)cyclobutyl]methyl]-1-methylbenzimidazol-5-amine
CID 115245633
2,2-dimethyl-3-[(1-methylbenzimidazol-5-yl)methylamino]propanenitrile
CID 115234056
N-[(1-methylbenzimidazol-5-yl)methyl]-2-sulfanylacetamide
CID 115167209
N-[(1-methylbenzimidazol-5-yl)methyl]azetidine-3-carboxamide
CID 115158890
(1-methylbenzimidazol-5-yl)methanethiol
CID 83529810
[1-[[(4-imidazol-1-ylphenyl)methylamino]methyl]cyclopropyl]methanol
CID 79479608

Frequently Asked Questions

What is the IUPAC name of [1-[[(1-methylbenzimidazol-5-yl)methylamino]methyl]cyclopropyl]methanol?
The IUPAC name of [1-[[(1-methylbenzimidazol-5-yl)methylamino]methyl]cyclopropyl]methanol (CID 115243491) is [1-[[(1-methylbenzimidazol-5-yl)methylamino]methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[[(1-methylbenzimidazol-5-yl)methylamino]methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[[(1-methylbenzimidazol-5-yl)methylamino]methyl]cyclopropyl]methanol is Cn1cnc2cc(CNCC3(CO)CC3)ccc21.
What is the InChIKey of [1-[[(1-methylbenzimidazol-5-yl)methylamino]methyl]cyclopropyl]methanol?
The InChIKey is RXQOFSXYAUFBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-17-10-16-12-6-11(2-3-13(12)17)7-15-8-14(9-18)4-5-14/h2-3,6,10,15,18H,4-5,7-9H2,1H3.
What are the key properties of [1-[[(1-methylbenzimidazol-5-yl)methylamino]methyl]cyclopropyl]methanol?
[1-[[(1-methylbenzimidazol-5-yl)methylamino]methyl]cyclopropyl]methanol has a molecular weight of 245.33 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(1-methylbenzimidazol-5-yl)methylamino]methyl]cyclopropyl]methanol is sourced from PubChem (CID 115243491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).