1-cyclopropyl-2-(piperidin-3-ylmethoxy)benzimidazole

C16H21N3O — CID 165354182

IUPAC1-cyclopropyl-2-(piperidin-3-ylmethoxy)benzimidazole
SMILESc1ccc2c(c1)nc(OCC1CCCNC1)n2C1CC1
InChIInChI=1S/C16H21N3O/c1-2-6-15-14(5-1)18-16(19(15)13-7-8-13)20-11-12-4-3-9-17-10-12/h1-2,5-6,12-13,17H,3-4,7-11H2
InChIKeyDGHHJKBBIHROLL-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.75
Rot. Bonds4

About 1-cyclopropyl-2-(piperidin-3-ylmethoxy)benzimidazole

1-cyclopropyl-2-(piperidin-3-ylmethoxy)benzimidazole (PubChem CID 165354182) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-cyclopropyl-2-(piperidin-3-ylmethoxy)benzimidazole.

Molecular Properties

Compound Name1-cyclopropyl-2-(piperidin-3-ylmethoxy)benzimidazole
PubChem CID165354182
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1-cyclopropyl-2-(piperidin-3-ylmethoxy)benzimidazole
SMILESc1ccc2c(c1)nc(OCC1CCCNC1)n2C1CC1
InChIInChI=1S/C16H21N3O/c1-2-6-15-14(5-1)18-16(19(15)13-7-8-13)20-11-12-4-3-9-17-10-12/h1-2,5-6,12-13,17H,3-4,7-11H2
InChIKeyDGHHJKBBIHROLL-UHFFFAOYSA-N
XLogP2.75
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-2-(piperidin-3-ylmethyl)benzimidazole
CID 62689106
3-(piperidin-3-ylmethoxy)-1,2,4-benzotriazine
CID 103204980
2-[[(3R)-piperidin-3-yl]methoxy]-1,3-benzoxazole
CID 94407294
2-methyl-3-(piperidin-3-ylmethoxy)quinoxaline
CID 55067629
2-ethoxy-3-(piperidin-3-ylmethoxy)quinoxaline
CID 71639733
3-[[(3S)-piperidin-3-yl]methoxy]quinoxalin-2-amine
CID 97165192
(3S)-3-(phenoxymethyl)piperidine
CID 26190643
1-cyclopropyl-2-(piperidin-4-ylmethyl)benzimidazole
CID 79615142
1-[1-(cyclopentylmethyl)piperidin-4-yl]-2-pyrrolidin-3-ylbenzimidazole
CID 118877726
(3R)-3-(naphthalen-2-yloxymethyl)piperidine
CID 26190858
(3R)-3-[(2-phenylphenoxy)methyl]piperidine
CID 26190683
(3S)-3-(naphthalen-2-yloxymethyl)piperidine
CID 26190856

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(piperidin-3-ylmethoxy)benzimidazole?
The IUPAC name of 1-cyclopropyl-2-(piperidin-3-ylmethoxy)benzimidazole (CID 165354182) is 1-cyclopropyl-2-(piperidin-3-ylmethoxy)benzimidazole.
What is the SMILES notation for 1-cyclopropyl-2-(piperidin-3-ylmethoxy)benzimidazole?
The canonical SMILES for 1-cyclopropyl-2-(piperidin-3-ylmethoxy)benzimidazole is c1ccc2c(c1)nc(OCC1CCCNC1)n2C1CC1.
What is the InChIKey of 1-cyclopropyl-2-(piperidin-3-ylmethoxy)benzimidazole?
The InChIKey is DGHHJKBBIHROLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-2-6-15-14(5-1)18-16(19(15)13-7-8-13)20-11-12-4-3-9-17-10-12/h1-2,5-6,12-13,17H,3-4,7-11H2.
What are the key properties of 1-cyclopropyl-2-(piperidin-3-ylmethoxy)benzimidazole?
1-cyclopropyl-2-(piperidin-3-ylmethoxy)benzimidazole has a molecular weight of 271.36 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(piperidin-3-ylmethoxy)benzimidazole is sourced from PubChem (CID 165354182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).