4-(benzimidazol-1-yl)-N-[1-(furan-2-yl)ethyl]pyrimidin-2-amine;molecular hydrogen

C17H17N5O — CID 142035804

IUPAC4-(benzimidazol-1-yl)-N-[1-(furan-2-yl)ethyl]pyrimidin-2-amine;molecular hydrogen
SMILESCC(Nc1nccc(-n2cnc3ccccc32)n1)c1ccco1.[H][H]
InChIInChI=1S/C17H15N5O.H2/c1-12(15-7-4-10-23-15)20-17-18-9-8-16(21-17)22-11-19-13-5-2-3-6-14(13)22;/h2-12H,1H3,(H,18,20,21);1H
InChIKeyJXCNHBRCZRWDPR-UHFFFAOYSA-N
MW307.36 g/mol
LogP3.83
Rot. Bonds4

About 4-(benzimidazol-1-yl)-N-[1-(furan-2-yl)ethyl]pyrimidin-2-amine;molecular hydrogen

4-(benzimidazol-1-yl)-N-[1-(furan-2-yl)ethyl]pyrimidin-2-amine;molecular hydrogen (PubChem CID 142035804) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is 4-(benzimidazol-1-yl)-N-[1-(furan-2-yl)ethyl]pyrimidin-2-amine;molecular hydrogen.

Molecular Properties

Compound Name4-(benzimidazol-1-yl)-N-[1-(furan-2-yl)ethyl]pyrimidin-2-amine;molecular hydrogen
PubChem CID142035804
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name4-(benzimidazol-1-yl)-N-[1-(furan-2-yl)ethyl]pyrimidin-2-amine;molecular hydrogen
SMILESCC(Nc1nccc(-n2cnc3ccccc32)n1)c1ccco1.[H][H]
InChIInChI=1S/C17H15N5O.H2/c1-12(15-7-4-10-23-15)20-17-18-9-8-16(21-17)22-11-19-13-5-2-3-6-14(13)22;/h2-12H,1H3,(H,18,20,21);1H
InChIKeyJXCNHBRCZRWDPR-UHFFFAOYSA-N
XLogP3.83
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(benzimidazol-1-yl)-N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]pyrimidin-2-amine
CID 18342873
4-(benzimidazol-1-yl)-N-[3-[(Z)-prop-1-enyl]sulfanylbut-3-en-2-yl]pyrimidin-2-amine;molecular hydrogen
CID 142035716
4-(benzimidazol-1-yl)-N-[1-(5-nitrothiophen-2-yl)ethyl]pyrimidin-2-amine
CID 18375929
4-(benzimidazol-1-yl)-N-ethylpyrimidin-2-amine
CID 80854162
tert-butyl 5-[1-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]ethyl]imidazole-1-carboxylate
CID 18375828
3-[2-(1-phenylethylamino)pyrimidin-4-yl]-N-pyrimidin-2-ylbenzimidazol-5-amine
CID 18375612
4-(5-methoxybenzimidazol-1-yl)-N-[(1S)-1-phenylethyl]pyrimidin-2-amine
CID 59924945
1-[3-[1-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]ethyl]piperidin-1-yl]ethanone
CID 70248883
1-(2-methylpyrimidin-4-yl)benzimidazole
CID 112695167
N-(1-phenylethyl)-4-[5-(6-phenylpyridazin-3-yl)benzimidazol-1-yl]pyrimidin-2-amine
CID 18375700
4-(benzimidazol-1-yl)-N-[(4-methylphenyl)methyl]pyrimidin-2-amine
CID 18375779
N,N'-diamino-3-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazole-5-carboximidamide
CID 142035815

Frequently Asked Questions

What is the IUPAC name of 4-(benzimidazol-1-yl)-N-[1-(furan-2-yl)ethyl]pyrimidin-2-amine;molecular hydrogen?
The IUPAC name of 4-(benzimidazol-1-yl)-N-[1-(furan-2-yl)ethyl]pyrimidin-2-amine;molecular hydrogen (CID 142035804) is 4-(benzimidazol-1-yl)-N-[1-(furan-2-yl)ethyl]pyrimidin-2-amine;molecular hydrogen.
What is the SMILES notation for 4-(benzimidazol-1-yl)-N-[1-(furan-2-yl)ethyl]pyrimidin-2-amine;molecular hydrogen?
The canonical SMILES for 4-(benzimidazol-1-yl)-N-[1-(furan-2-yl)ethyl]pyrimidin-2-amine;molecular hydrogen is CC(Nc1nccc(-n2cnc3ccccc32)n1)c1ccco1.[H][H].
What is the InChIKey of 4-(benzimidazol-1-yl)-N-[1-(furan-2-yl)ethyl]pyrimidin-2-amine;molecular hydrogen?
The InChIKey is JXCNHBRCZRWDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O.H2/c1-12(15-7-4-10-23-15)20-17-18-9-8-16(21-17)22-11-19-13-5-2-3-6-14(13)22;/h2-12H,1H3,(H,18,20,21);1H.
What are the key properties of 4-(benzimidazol-1-yl)-N-[1-(furan-2-yl)ethyl]pyrimidin-2-amine;molecular hydrogen?
4-(benzimidazol-1-yl)-N-[1-(furan-2-yl)ethyl]pyrimidin-2-amine;molecular hydrogen has a molecular weight of 307.36 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzimidazol-1-yl)-N-[1-(furan-2-yl)ethyl]pyrimidin-2-amine;molecular hydrogen is sourced from PubChem (CID 142035804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).