N-[(1-methylbenzimidazol-2-yl)methyl]-N-(pyridin-3-ylmethyl)-1-[(3S)-pyrrolidin-3-yl]methanamine

C20H25N5 — CID 129333059

IUPACN-[(1-methylbenzimidazol-2-yl)methyl]-N-(pyridin-3-ylmethyl)-1-[(3S)-pyrrolidin-3-yl]methanamine
SMILESCn1c(CN(Cc2cccnc2)C[C@H]2CCNC2)nc2ccccc21
InChIInChI=1S/C20H25N5/c1-24-19-7-3-2-6-18(19)23-20(24)15-25(14-17-8-10-22-12-17)13-16-5-4-9-21-11-16/h2-7,9,11,17,22H,8,10,12-15H2,1H3/t17-/m0/s1
InChIKeyFCCYOCBCJRCWCH-KRWDZBQOSA-N
MW335.45 g/mol
LogP2.58
Rot. Bonds6

About N-[(1-methylbenzimidazol-2-yl)methyl]-N-(pyridin-3-ylmethyl)-1-[(3S)-pyrrolidin-3-yl]methanamine

N-[(1-methylbenzimidazol-2-yl)methyl]-N-(pyridin-3-ylmethyl)-1-[(3S)-pyrrolidin-3-yl]methanamine (PubChem CID 129333059) has the molecular formula C20H25N5 and a molecular weight of 335.45 g/mol. Its IUPAC name is N-[(1-methylbenzimidazol-2-yl)methyl]-N-(pyridin-3-ylmethyl)-1-[(3S)-pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound NameN-[(1-methylbenzimidazol-2-yl)methyl]-N-(pyridin-3-ylmethyl)-1-[(3S)-pyrrolidin-3-yl]methanamine
PubChem CID129333059
Molecular FormulaC20H25N5
Molecular Weight335.45 g/mol
Exact Mass335.21
IUPAC NameN-[(1-methylbenzimidazol-2-yl)methyl]-N-(pyridin-3-ylmethyl)-1-[(3S)-pyrrolidin-3-yl]methanamine
SMILESCn1c(CN(Cc2cccnc2)C[C@H]2CCNC2)nc2ccccc21
InChIInChI=1S/C20H25N5/c1-24-19-7-3-2-6-18(19)23-20(24)15-25(14-17-8-10-22-12-17)13-16-5-4-9-21-11-16/h2-7,9,11,17,22H,8,10,12-15H2,1H3/t17-/m0/s1
InChIKeyFCCYOCBCJRCWCH-KRWDZBQOSA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-1-pyridin-3-ylmethanamine
CID 71864058
N-[(2-methoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)-1-[(3S)-pyrrolidin-3-yl]methanamine
CID 129340589
N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-N-(pyridin-3-ylmethyl)-1-pyrrolidin-3-ylmethanamine
CID 167832608
N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-3-ylmethyl)-1-[(3S)-pyrrolidin-3-yl]methanamine
CID 129339021
2-ethylsulfonyl-N-(pyridin-3-ylmethyl)-N-(pyrrolidin-3-ylmethyl)ethanamine;hydrochloride
CID 128973446
N-(pyridin-3-ylmethyl)-1-[(3S)-pyrrolidin-3-yl]-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 129336675
N-[(5-chlorothiadiazol-4-yl)methyl]-N-(pyridin-3-ylmethyl)-1-pyrrolidin-3-ylmethanamine;hydrochloride
CID 129005760
1-methyl-2-(piperidin-4-ylmethyl)benzimidazole;hydrochloride
CID 171779762
N-benzyl-N-[[(3S)-pyrrolidin-3-yl]methyl]ethanamine
CID 86323590
N,N-dibenzyl-1-[3-[(1-methylbenzimidazol-2-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methanamine
CID 69404713
4-chloro-N-(pyridin-3-ylmethyl)-N-[[(3S)-pyrrolidin-3-yl]methyl]benzamide
CID 129343993
4-chloro-N-(pyridin-3-ylmethyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]benzamide
CID 129343994

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylbenzimidazol-2-yl)methyl]-N-(pyridin-3-ylmethyl)-1-[(3S)-pyrrolidin-3-yl]methanamine?
The IUPAC name of N-[(1-methylbenzimidazol-2-yl)methyl]-N-(pyridin-3-ylmethyl)-1-[(3S)-pyrrolidin-3-yl]methanamine (CID 129333059) is N-[(1-methylbenzimidazol-2-yl)methyl]-N-(pyridin-3-ylmethyl)-1-[(3S)-pyrrolidin-3-yl]methanamine.
What is the SMILES notation for N-[(1-methylbenzimidazol-2-yl)methyl]-N-(pyridin-3-ylmethyl)-1-[(3S)-pyrrolidin-3-yl]methanamine?
The canonical SMILES for N-[(1-methylbenzimidazol-2-yl)methyl]-N-(pyridin-3-ylmethyl)-1-[(3S)-pyrrolidin-3-yl]methanamine is Cn1c(CN(Cc2cccnc2)C[C@H]2CCNC2)nc2ccccc21.
What is the InChIKey of N-[(1-methylbenzimidazol-2-yl)methyl]-N-(pyridin-3-ylmethyl)-1-[(3S)-pyrrolidin-3-yl]methanamine?
The InChIKey is FCCYOCBCJRCWCH-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H25N5/c1-24-19-7-3-2-6-18(19)23-20(24)15-25(14-17-8-10-22-12-17)13-16-5-4-9-21-11-16/h2-7,9,11,17,22H,8,10,12-15H2,1H3/t17-/m0/s1.
What are the key properties of N-[(1-methylbenzimidazol-2-yl)methyl]-N-(pyridin-3-ylmethyl)-1-[(3S)-pyrrolidin-3-yl]methanamine?
N-[(1-methylbenzimidazol-2-yl)methyl]-N-(pyridin-3-ylmethyl)-1-[(3S)-pyrrolidin-3-yl]methanamine has a molecular weight of 335.45 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylbenzimidazol-2-yl)methyl]-N-(pyridin-3-ylmethyl)-1-[(3S)-pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 129333059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).