4-(5-methoxybenzimidazol-1-yl)-N-[(1S)-1-phenylethyl]pyrimidin-2-amine

C20H19N5O — CID 59924945

IUPAC4-(5-methoxybenzimidazol-1-yl)-N-[(1S)-1-phenylethyl]pyrimidin-2-amine
SMILESCOc1ccc2c(c1)ncn2-c1ccnc(N[C@@H](C)c2ccccc2)n1
InChIInChI=1S/C20H19N5O/c1-14(15-6-4-3-5-7-15)23-20-21-11-10-19(24-20)25-13-22-17-12-16(26-2)8-9-18(17)25/h3-14H,1-2H3,(H,21,23,24)/t14-/m0/s1
InChIKeySQKODWXTOIILMQ-AWEZNQCLSA-N
MW345.41 g/mol
LogP4.00
Rot. Bonds5

About 4-(5-methoxybenzimidazol-1-yl)-N-[(1S)-1-phenylethyl]pyrimidin-2-amine

4-(5-methoxybenzimidazol-1-yl)-N-[(1S)-1-phenylethyl]pyrimidin-2-amine (PubChem CID 59924945) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is 4-(5-methoxybenzimidazol-1-yl)-N-[(1S)-1-phenylethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(5-methoxybenzimidazol-1-yl)-N-[(1S)-1-phenylethyl]pyrimidin-2-amine
PubChem CID59924945
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Name4-(5-methoxybenzimidazol-1-yl)-N-[(1S)-1-phenylethyl]pyrimidin-2-amine
SMILESCOc1ccc2c(c1)ncn2-c1ccnc(N[C@@H](C)c2ccccc2)n1
InChIInChI=1S/C20H19N5O/c1-14(15-6-4-3-5-7-15)23-20-21-11-10-19(24-20)25-13-22-17-12-16(26-2)8-9-18(17)25/h3-14H,1-2H3,(H,21,23,24)/t14-/m0/s1
InChIKeySQKODWXTOIILMQ-AWEZNQCLSA-N
XLogP4.00
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-dimethoxyphosphoryl-1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-amine
CID 59924948
N-(1-phenylethyl)-4-[5-(6-phenylpyridazin-3-yl)benzimidazol-1-yl]pyrimidin-2-amine
CID 18375700
4-(5-nitrobenzimidazol-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine
CID 18375448
4-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]benzene-1,2-diamine
CID 18375623
N-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]formamide
CID 142035754
4-[5-(2-methylphenyl)benzimidazol-1-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine
CID 59924910
4-[5-(2-aminophenyl)benzimidazol-1-yl]-N-(1-phenylethyl)pyrimidin-2-amine
CID 18375606
N-(1-phenylethyl)-4-(5-pyridin-3-ylbenzimidazol-1-yl)pyrimidin-2-amine
CID 18375556
4-[5-(2-hydrazinylpyrimidin-4-yl)benzimidazol-1-yl]-N-(1-phenylethyl)pyrimidin-2-amine
CID 18375876
4-[5-[3,5-bis(trifluoromethyl)phenyl]benzimidazol-1-yl]-N-(1-phenylethyl)pyrimidin-2-amine
CID 18375983
2,2-dimethyl-N-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]propanamide
CID 59924879
1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-N,N-bis(prop-2-enyl)benzimidazol-5-amine
CID 59924674

Frequently Asked Questions

What is the IUPAC name of 4-(5-methoxybenzimidazol-1-yl)-N-[(1S)-1-phenylethyl]pyrimidin-2-amine?
The IUPAC name of 4-(5-methoxybenzimidazol-1-yl)-N-[(1S)-1-phenylethyl]pyrimidin-2-amine (CID 59924945) is 4-(5-methoxybenzimidazol-1-yl)-N-[(1S)-1-phenylethyl]pyrimidin-2-amine.
What is the SMILES notation for 4-(5-methoxybenzimidazol-1-yl)-N-[(1S)-1-phenylethyl]pyrimidin-2-amine?
The canonical SMILES for 4-(5-methoxybenzimidazol-1-yl)-N-[(1S)-1-phenylethyl]pyrimidin-2-amine is COc1ccc2c(c1)ncn2-c1ccnc(N[C@@H](C)c2ccccc2)n1.
What is the InChIKey of 4-(5-methoxybenzimidazol-1-yl)-N-[(1S)-1-phenylethyl]pyrimidin-2-amine?
The InChIKey is SQKODWXTOIILMQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H19N5O/c1-14(15-6-4-3-5-7-15)23-20-21-11-10-19(24-20)25-13-22-17-12-16(26-2)8-9-18(17)25/h3-14H,1-2H3,(H,21,23,24)/t14-/m0/s1.
What are the key properties of 4-(5-methoxybenzimidazol-1-yl)-N-[(1S)-1-phenylethyl]pyrimidin-2-amine?
4-(5-methoxybenzimidazol-1-yl)-N-[(1S)-1-phenylethyl]pyrimidin-2-amine has a molecular weight of 345.41 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methoxybenzimidazol-1-yl)-N-[(1S)-1-phenylethyl]pyrimidin-2-amine is sourced from PubChem (CID 59924945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).