N-[2-(aminomethyl)-5-(6-chloro-1H-benzimidazol-2-yl)phenyl]-4-pyridin-3-ylpyrimidin-2-amine

C23H18ClN7 — CID 174611243

IUPACN-[2-(aminomethyl)-5-(6-chloro-1H-benzimidazol-2-yl)phenyl]-4-pyridin-3-ylpyrimidin-2-amine
SMILESNCc1ccc(-c2nc3ccc(Cl)cc3[nH]2)cc1Nc1nccc(-c2cccnc2)n1
InChIInChI=1S/C23H18ClN7/c24-17-5-6-19-21(11-17)29-22(28-19)14-3-4-15(12-25)20(10-14)31-23-27-9-7-18(30-23)16-2-1-8-26-13-16/h1-11,13H,12,25H2,(H,28,29)(H,27,30,31)
InChIKeyRVRHHTVXKSMQOP-UHFFFAOYSA-N
MW427.90 g/mol
LogP4.94
Rot. Bonds5

About N-[2-(aminomethyl)-5-(6-chloro-1H-benzimidazol-2-yl)phenyl]-4-pyridin-3-ylpyrimidin-2-amine

N-[2-(aminomethyl)-5-(6-chloro-1H-benzimidazol-2-yl)phenyl]-4-pyridin-3-ylpyrimidin-2-amine (PubChem CID 174611243) has the molecular formula C23H18ClN7 and a molecular weight of 427.90 g/mol. Its IUPAC name is N-[2-(aminomethyl)-5-(6-chloro-1H-benzimidazol-2-yl)phenyl]-4-pyridin-3-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-(aminomethyl)-5-(6-chloro-1H-benzimidazol-2-yl)phenyl]-4-pyridin-3-ylpyrimidin-2-amine
PubChem CID174611243
Molecular FormulaC23H18ClN7
Molecular Weight427.90 g/mol
Exact Mass427.13
IUPAC NameN-[2-(aminomethyl)-5-(6-chloro-1H-benzimidazol-2-yl)phenyl]-4-pyridin-3-ylpyrimidin-2-amine
SMILESNCc1ccc(-c2nc3ccc(Cl)cc3[nH]2)cc1Nc1nccc(-c2cccnc2)n1
InChIInChI=1S/C23H18ClN7/c24-17-5-6-19-21(11-17)29-22(28-19)14-3-4-15(12-25)20(10-14)31-23-27-9-7-18(30-23)16-2-1-8-26-13-16/h1-11,13H,12,25H2,(H,28,29)(H,27,30,31)
InChIKeyRVRHHTVXKSMQOP-UHFFFAOYSA-N
XLogP4.94
TPSA105.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.90
LogP ≤ 54.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(6-ethyl-1H-benzimidazol-2-yl)-2-methylphenyl]-4-pyridin-3-ylpyrimidin-2-amine
CID 25115318
N-[5-(6-tert-butyl-1H-benzimidazol-2-yl)-2-methylphenyl]-4-pyridin-3-ylpyrimidin-2-amine
CID 25115316
6-methyl-N-(4-pyridin-3-ylpyrimidin-2-yl)-2-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-5-amine
CID 90468101
2-(2-pyridin-3-yl-3H-benzimidazol-5-yl)ethanamine
CID 82292187
4-chloro-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzohydrazide
CID 173130052
1-(4-chlorophenyl)-3-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]urea
CID 135393863
N-[6-methyl-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-3-pyridinyl]hydroxylamine
CID 154584905
2-(3-bromophenyl)-6-chloro-1H-benzimidazole
CID 60646428
3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzenesulfonamide
CID 14347156
N-(4-chlorophenyl)-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide
CID 11281472
2-(4-chlorophenoxy)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]acetamide
CID 177190662
2-(4-chlorophenoxy)-N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]acetamide
CID 177190714

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)-5-(6-chloro-1H-benzimidazol-2-yl)phenyl]-4-pyridin-3-ylpyrimidin-2-amine?
The IUPAC name of N-[2-(aminomethyl)-5-(6-chloro-1H-benzimidazol-2-yl)phenyl]-4-pyridin-3-ylpyrimidin-2-amine (CID 174611243) is N-[2-(aminomethyl)-5-(6-chloro-1H-benzimidazol-2-yl)phenyl]-4-pyridin-3-ylpyrimidin-2-amine.
What is the SMILES notation for N-[2-(aminomethyl)-5-(6-chloro-1H-benzimidazol-2-yl)phenyl]-4-pyridin-3-ylpyrimidin-2-amine?
The canonical SMILES for N-[2-(aminomethyl)-5-(6-chloro-1H-benzimidazol-2-yl)phenyl]-4-pyridin-3-ylpyrimidin-2-amine is NCc1ccc(-c2nc3ccc(Cl)cc3[nH]2)cc1Nc1nccc(-c2cccnc2)n1.
What is the InChIKey of N-[2-(aminomethyl)-5-(6-chloro-1H-benzimidazol-2-yl)phenyl]-4-pyridin-3-ylpyrimidin-2-amine?
The InChIKey is RVRHHTVXKSMQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN7/c24-17-5-6-19-21(11-17)29-22(28-19)14-3-4-15(12-25)20(10-14)31-23-27-9-7-18(30-23)16-2-1-8-26-13-16/h1-11,13H,12,25H2,(H,28,29)(H,27,30,31).
What are the key properties of N-[2-(aminomethyl)-5-(6-chloro-1H-benzimidazol-2-yl)phenyl]-4-pyridin-3-ylpyrimidin-2-amine?
N-[2-(aminomethyl)-5-(6-chloro-1H-benzimidazol-2-yl)phenyl]-4-pyridin-3-ylpyrimidin-2-amine has a molecular weight of 427.90 g/mol, XLogP of 4.94, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)-5-(6-chloro-1H-benzimidazol-2-yl)phenyl]-4-pyridin-3-ylpyrimidin-2-amine is sourced from PubChem (CID 174611243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).