N-[(1-ethylbenzimidazol-2-yl)methyl]-1-(6-pyrrolidin-1-yl-3-pyridinyl)methanamine

C20H25N5 — CID 56816229

IUPACN-[(1-ethylbenzimidazol-2-yl)methyl]-1-(6-pyrrolidin-1-yl-3-pyridinyl)methanamine
SMILESCCn1c(CNCc2ccc(N3CCCC3)nc2)nc2ccccc21
InChIInChI=1S/C20H25N5/c1-2-25-18-8-4-3-7-17(18)23-20(25)15-21-13-16-9-10-19(22-14-16)24-11-5-6-12-24/h3-4,7-10,14,21H,2,5-6,11-13,15H2,1H3
InChIKeyACJZFQVKISZOLZ-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.34
Rot. Bonds6

About N-[(1-ethylbenzimidazol-2-yl)methyl]-1-(6-pyrrolidin-1-yl-3-pyridinyl)methanamine

N-[(1-ethylbenzimidazol-2-yl)methyl]-1-(6-pyrrolidin-1-yl-3-pyridinyl)methanamine (PubChem CID 56816229) has the molecular formula C20H25N5 and a molecular weight of 335.45 g/mol. Its IUPAC name is N-[(1-ethylbenzimidazol-2-yl)methyl]-1-(6-pyrrolidin-1-yl-3-pyridinyl)methanamine.

Molecular Properties

Compound NameN-[(1-ethylbenzimidazol-2-yl)methyl]-1-(6-pyrrolidin-1-yl-3-pyridinyl)methanamine
PubChem CID56816229
Molecular FormulaC20H25N5
Molecular Weight335.45 g/mol
Exact Mass335.21
IUPAC NameN-[(1-ethylbenzimidazol-2-yl)methyl]-1-(6-pyrrolidin-1-yl-3-pyridinyl)methanamine
SMILESCCn1c(CNCc2ccc(N3CCCC3)nc2)nc2ccccc21
InChIInChI=1S/C20H25N5/c1-2-25-18-8-4-3-7-17(18)23-20(25)15-21-13-16-9-10-19(22-14-16)24-11-5-6-12-24/h3-4,7-10,14,21H,2,5-6,11-13,15H2,1H3
InChIKeyACJZFQVKISZOLZ-UHFFFAOYSA-N
XLogP3.34
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-ethylbenzimidazol-2-yl)methyl]-2-piperidin-1-ylethanamine
CID 60696042
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
CID 55973405
N-[(1-ethylbenzimidazol-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 61020851
1-(6-methoxy-3-pyridinyl)-N-[(1-propylbenzimidazol-2-yl)methyl]methanamine
CID 119137495
N-[(1-ethylbenzimidazol-2-yl)methyl]-1-(2-methyl-1,3-thiazol-5-yl)methanamine
CID 60980527
1-cyclopropyl-N-[(1-ethylbenzimidazol-2-yl)methyl]methanamine
CID 43655424
N-[(1-ethylbenzimidazol-2-yl)methyl]-1-methylcyclobutan-1-amine
CID 115765848
(1-ethylbenzimidazol-2-yl)methylhydrazine
CID 53275104
N-[(1-ethylbenzimidazol-2-yl)methyl]-2,2-difluoroethanamine
CID 113303573
N-[[6-(azocan-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62279303
N-[(1-ethylbenzimidazol-2-yl)methyl]-3,3-dimethylbutan-1-amine
CID 115574819
2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]acetamide
CID 55745515

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylbenzimidazol-2-yl)methyl]-1-(6-pyrrolidin-1-yl-3-pyridinyl)methanamine?
The IUPAC name of N-[(1-ethylbenzimidazol-2-yl)methyl]-1-(6-pyrrolidin-1-yl-3-pyridinyl)methanamine (CID 56816229) is N-[(1-ethylbenzimidazol-2-yl)methyl]-1-(6-pyrrolidin-1-yl-3-pyridinyl)methanamine.
What is the SMILES notation for N-[(1-ethylbenzimidazol-2-yl)methyl]-1-(6-pyrrolidin-1-yl-3-pyridinyl)methanamine?
The canonical SMILES for N-[(1-ethylbenzimidazol-2-yl)methyl]-1-(6-pyrrolidin-1-yl-3-pyridinyl)methanamine is CCn1c(CNCc2ccc(N3CCCC3)nc2)nc2ccccc21.
What is the InChIKey of N-[(1-ethylbenzimidazol-2-yl)methyl]-1-(6-pyrrolidin-1-yl-3-pyridinyl)methanamine?
The InChIKey is ACJZFQVKISZOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5/c1-2-25-18-8-4-3-7-17(18)23-20(25)15-21-13-16-9-10-19(22-14-16)24-11-5-6-12-24/h3-4,7-10,14,21H,2,5-6,11-13,15H2,1H3.
What are the key properties of N-[(1-ethylbenzimidazol-2-yl)methyl]-1-(6-pyrrolidin-1-yl-3-pyridinyl)methanamine?
N-[(1-ethylbenzimidazol-2-yl)methyl]-1-(6-pyrrolidin-1-yl-3-pyridinyl)methanamine has a molecular weight of 335.45 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylbenzimidazol-2-yl)methyl]-1-(6-pyrrolidin-1-yl-3-pyridinyl)methanamine is sourced from PubChem (CID 56816229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).