1-methyl-5-(piperidin-4-ylmethyl)-2-propylbenzimidazole

C17H25N3 — CID 96679334

IUPAC1-methyl-5-(piperidin-4-ylmethyl)-2-propylbenzimidazole
SMILESCCCc1nc2cc(CC3CCNCC3)ccc2n1C
InChIInChI=1S/C17H25N3/c1-3-4-17-19-15-12-14(5-6-16(15)20(17)2)11-13-7-9-18-10-8-13/h5-6,12-13,18H,3-4,7-11H2,1-2H3
InChIKeyBTNNWINDHZMTOA-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.07
Rot. Bonds4

About 1-methyl-5-(piperidin-4-ylmethyl)-2-propylbenzimidazole

1-methyl-5-(piperidin-4-ylmethyl)-2-propylbenzimidazole (PubChem CID 96679334) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 1-methyl-5-(piperidin-4-ylmethyl)-2-propylbenzimidazole.

Molecular Properties

Compound Name1-methyl-5-(piperidin-4-ylmethyl)-2-propylbenzimidazole
PubChem CID96679334
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name1-methyl-5-(piperidin-4-ylmethyl)-2-propylbenzimidazole
SMILESCCCc1nc2cc(CC3CCNCC3)ccc2n1C
InChIInChI=1S/C17H25N3/c1-3-4-17-19-15-12-14(5-6-16(15)20(17)2)11-13-7-9-18-10-8-13/h5-6,12-13,18H,3-4,7-11H2,1-2H3
InChIKeyBTNNWINDHZMTOA-UHFFFAOYSA-N
XLogP3.07
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-2-(piperidin-4-ylmethyl)benzimidazole;hydrochloride
CID 171779762
5-chloro-2-(piperidin-4-ylmethyl)-1-propylbenzimidazole
CID 79615143
1-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazol-5-ol
CID 83858071
5-(piperidin-4-ylmethyl)-2H-benzotriazole
CID 84784846
3-methyl-6-(piperidin-4-ylmethyl)-1H-benzimidazol-2-one
CID 117365590
1-(piperidin-4-ylmethyl)-2-propylbenzimidazole
CID 82149668
1-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazole-5-carboxylic acid
CID 84637794
5-ethyl-2-piperidin-4-yl-1-propylbenzimidazole
CID 82333743
1-methyl-2-propylbenzimidazole-5-sulfonyl chloride
CID 82502066
3-methyl-6-(piperidin-4-ylmethyl)quinoline
CID 116997415
5-chloro-1-methyl-2-(piperidin-4-yloxymethyl)benzimidazole
CID 55251116
1-piperidin-4-yl-2-propylbenzimidazole
CID 82063740

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(piperidin-4-ylmethyl)-2-propylbenzimidazole?
The IUPAC name of 1-methyl-5-(piperidin-4-ylmethyl)-2-propylbenzimidazole (CID 96679334) is 1-methyl-5-(piperidin-4-ylmethyl)-2-propylbenzimidazole.
What is the SMILES notation for 1-methyl-5-(piperidin-4-ylmethyl)-2-propylbenzimidazole?
The canonical SMILES for 1-methyl-5-(piperidin-4-ylmethyl)-2-propylbenzimidazole is CCCc1nc2cc(CC3CCNCC3)ccc2n1C.
What is the InChIKey of 1-methyl-5-(piperidin-4-ylmethyl)-2-propylbenzimidazole?
The InChIKey is BTNNWINDHZMTOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-3-4-17-19-15-12-14(5-6-16(15)20(17)2)11-13-7-9-18-10-8-13/h5-6,12-13,18H,3-4,7-11H2,1-2H3.
What are the key properties of 1-methyl-5-(piperidin-4-ylmethyl)-2-propylbenzimidazole?
1-methyl-5-(piperidin-4-ylmethyl)-2-propylbenzimidazole has a molecular weight of 271.41 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(piperidin-4-ylmethyl)-2-propylbenzimidazole is sourced from PubChem (CID 96679334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).