2-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine

C18H21N5 — CID 133462208

IUPAC2-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCc1nc2c(c(NCc3nc4c(C)cccc4[nH]3)n1)CCCC2
InChIInChI=1S/C18H21N5/c1-11-6-5-9-15-17(11)23-16(22-15)10-19-18-13-7-3-4-8-14(13)20-12(2)21-18/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,22,23)(H,19,20,21)
InChIKeyAJIXTLUTMGLXMX-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.46
Rot. Bonds3

About 2-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine

2-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 133462208) has the molecular formula C18H21N5 and a molecular weight of 307.40 g/mol. Its IUPAC name is 2-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound Name2-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID133462208
Molecular FormulaC18H21N5
Molecular Weight307.40 g/mol
Exact Mass307.18
IUPAC Name2-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCc1nc2c(c(NCc3nc4c(C)cccc4[nH]3)n1)CCCC2
InChIInChI=1S/C18H21N5/c1-11-6-5-9-15-17(11)23-16(22-15)10-19-18-13-7-3-4-8-14(13)20-12(2)21-18/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,22,23)(H,19,20,21)
InChIKeyAJIXTLUTMGLXMX-UHFFFAOYSA-N
XLogP3.46
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine with MolForge

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Related Compounds

2-[(4-methyl-1H-benzimidazol-2-yl)methylamino]pyridine-3-carbonitrile
CID 133414956
4-[[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]-1H-quinolin-2-one
CID 133461177
N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
CID 133414949
N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 133472801
2-methyl-N-[(E)-pent-3-enyl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 133460830
3-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-5-nitropyridin-2-amine
CID 133415000
2-(chloromethyl)-4-methyl-1H-benzimidazole
CID 12953834
2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 139001440
2-methyl-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 133472475
N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-1,3-benzoxazol-2-amine
CID 133414897
N'-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)ethane-1,2-diamine
CID 83833536
4-methyl-N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]-1H-benzimidazol-2-amine
CID 166283862

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine?
The IUPAC name of 2-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine (CID 133462208) is 2-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for 2-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for 2-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine is Cc1nc2c(c(NCc3nc4c(C)cccc4[nH]3)n1)CCCC2.
What is the InChIKey of 2-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is AJIXTLUTMGLXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5/c1-11-6-5-9-15-17(11)23-16(22-15)10-19-18-13-7-3-4-8-14(13)20-12(2)21-18/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,22,23)(H,19,20,21).
What are the key properties of 2-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine?
2-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 307.40 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 133462208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).