6-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]-1H-benzimidazol-2-amine

C20H24N4 — CID 110377051

IUPAC6-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]-1H-benzimidazol-2-amine
SMILESCc1ccc2nc(Nc3ccc(CN4CCCCC4)cc3)[nH]c2c1
InChIInChI=1S/C20H24N4/c1-15-5-10-18-19(13-15)23-20(22-18)21-17-8-6-16(7-9-17)14-24-11-3-2-4-12-24/h5-10,13H,2-4,11-12,14H2,1H3,(H2,21,22,23)
InChIKeyQRRAJCOTZXPAKX-UHFFFAOYSA-N
MW320.44 g/mol
LogP4.60
Rot. Bonds4

About 6-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]-1H-benzimidazol-2-amine

6-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]-1H-benzimidazol-2-amine (PubChem CID 110377051) has the molecular formula C20H24N4 and a molecular weight of 320.44 g/mol. Its IUPAC name is 6-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name6-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]-1H-benzimidazol-2-amine
PubChem CID110377051
Molecular FormulaC20H24N4
Molecular Weight320.44 g/mol
Exact Mass320.20
IUPAC Name6-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]-1H-benzimidazol-2-amine
SMILESCc1ccc2nc(Nc3ccc(CN4CCCCC4)cc3)[nH]c2c1
InChIInChI=1S/C20H24N4/c1-15-5-10-18-19(13-15)23-20(22-18)21-17-8-6-16(7-9-17)14-24-11-3-2-4-12-24/h5-10,13H,2-4,11-12,14H2,1H3,(H2,21,22,23)
InChIKeyQRRAJCOTZXPAKX-UHFFFAOYSA-N
XLogP4.60
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(ethylsulfanylmethyl)phenyl]-6-methyl-1H-benzimidazol-2-amine
CID 110377206
6-methyl-N-(4-morpholin-4-ylphenyl)-1H-benzimidazol-2-amine
CID 110376992
6-methyl-N-[4-(propylsulfanylmethyl)phenyl]-1H-benzimidazol-2-amine
CID 110377229
4,6-dimethyl-N-[4-(piperidin-1-ylmethyl)phenyl]pyrimidin-2-amine
CID 108776126
4-ethyl-2-[4-(piperidin-1-ylmethyl)anilino]-1H-pyrimidin-6-one
CID 136683576
6-methyl-N-(4-propan-2-yloxyphenyl)-1H-benzimidazol-2-amine
CID 110375259
6-chloro-2-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]pyrimidin-4-amine
CID 108776133
1-[(4-methylphenyl)methyl]azepane
CID 3951815
ethane;1-[(4-methylphenyl)methyl]piperidine
CID 143603243
4-methyl-N-[2-(piperidin-1-ylmethyl)-3H-benzimidazol-5-yl]benzenesulfonamide
CID 169371979
1-N,4-N-bis(6-chloro-1H-benzimidazol-2-yl)benzene-1,4-diamine
CID 14688884
2-(azepan-1-yl)-6-methyl-1H-benzimidazole
CID 110376234

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]-1H-benzimidazol-2-amine?
The IUPAC name of 6-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]-1H-benzimidazol-2-amine (CID 110377051) is 6-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]-1H-benzimidazol-2-amine.
What is the SMILES notation for 6-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]-1H-benzimidazol-2-amine?
The canonical SMILES for 6-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]-1H-benzimidazol-2-amine is Cc1ccc2nc(Nc3ccc(CN4CCCCC4)cc3)[nH]c2c1.
What is the InChIKey of 6-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]-1H-benzimidazol-2-amine?
The InChIKey is QRRAJCOTZXPAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4/c1-15-5-10-18-19(13-15)23-20(22-18)21-17-8-6-16(7-9-17)14-24-11-3-2-4-12-24/h5-10,13H,2-4,11-12,14H2,1H3,(H2,21,22,23).
What are the key properties of 6-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]-1H-benzimidazol-2-amine?
6-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]-1H-benzimidazol-2-amine has a molecular weight of 320.44 g/mol, XLogP of 4.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]-1H-benzimidazol-2-amine is sourced from PubChem (CID 110377051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).